data_5jxv_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 5jxv _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.808 0.337 . . . . 75.44 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.55 154.82 24.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.939 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.47 135.29 53.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.884 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -101.9 133.1 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.81 119.64 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.31 123.8 42.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.897 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.41 68.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.71 168.5 49.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 74.22 112.486 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -41.98 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 73.1 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.17 -1.24 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 139.23 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -141.64 149.93 41.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.55 110.933 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.27 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 54.01 112.455 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.1 133.57 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 74.33 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.44 155.55 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 71.21 111.132 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.1 p -139.58 153.58 47.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -144.57 144.77 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 62.53 111.17 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.07 123.08 47.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.6 148.8 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.089 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.57 -23.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.52 111.119 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.2 150.02 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.884 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -35.16 69.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 64.21 111.124 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.89 83.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.03 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -76.05 -44.64 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.45 111.123 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.29 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.091 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -67.34 -37.24 82.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.44 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -64.58 -42.11 95.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 63.35 110.935 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.44 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.162 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -67.84 -52.48 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.51 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.69 -46.86 62.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 64.14 110.851 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' N ' HE21 ' A' ' 32' ' ' GLN . 76.7 t80 -65.81 -38.96 90.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.962 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.96 57.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 44.34 111.159 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.97 -25.62 63.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.841 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.79 -7.28 58.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 53.12 110.881 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 23.05 63.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.31 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.54 130.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 73.53 111.134 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.17 142.67 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.839 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.25 -136.29 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -120.15 147.7 44.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.335 . . . . 74.44 110.898 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -119.85 137.2 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.17 144.95 43.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.157 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -133.29 113.29 12.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.05 110.908 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -108.1 99.11 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 72.51 110.889 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.11 -14.0 59.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 65.13 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.35 63.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 p -111.13 5.68 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.127 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 49.47 42.88 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 t -125.3 138.88 54.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.17 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.21 155.57 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 t -146.12 154.73 42.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 71.13 111.147 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -134.17 121.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 73.11 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.3 m -114.11 141.17 47.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 75.42 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.866 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.317 . . . . 75.44 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.7 159.2 19.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.896 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -124.4 135.42 53.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 70.24 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.0 130.35 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.922 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.79 126.77 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.061 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.01 119.92 39.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.909 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 69.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.9 164.85 45.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 73.41 112.44 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -41.71 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 75.01 110.865 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.12 15.35 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.45 111.133 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.79 140.16 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.1 150.03 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.926 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.35 47.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.689 -0.767 . . . . 72.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.68 156.44 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 75.42 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.32 162.68 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 61.54 111.163 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -142.16 147.58 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 60.25 111.138 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -144.62 144.68 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -106.53 122.98 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.6 146.0 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.41 111.127 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.65 -25.17 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.106 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.15 150.08 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 72.05 110.852 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.59 70.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.082 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.78 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.08 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -73.78 -41.92 61.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 63.1 111.147 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.17 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 73.12 111.118 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.76 -39.39 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -65.58 -38.82 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.94 -36.59 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.139 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -65.0 -52.5 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.33 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -36.53 80.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.89 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.75 -46.93 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' N ' HE21 ' A' ' 32' ' ' GLN . 42.2 t80 -65.61 -37.97 88.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 72.02 110.93 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.37 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.13 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -58.55 -46.13 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.88 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.98 -26.24 65.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.838 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -7.13 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.45 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.92 22.9 70.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.514 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -66.14 119.43 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 74.14 111.118 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -127.15 143.78 51.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.33 110.86 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.69 -134.66 4.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 71.15 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.26 137.73 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 75.24 110.864 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -114.35 137.05 52.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 145.9 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 73.43 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -133.38 113.23 12.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.937 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.73 99.0 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -65.18 -14.01 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.877 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.62 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.088 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -111.35 6.25 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.121 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.65 33.05 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.939 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.2 t -112.91 139.04 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.083 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.06 153.76 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -146.13 154.73 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.12 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.23 121.25 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.147 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -111.3 141.12 45.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 61.3 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.886 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.33 . . . . 73.02 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.01 158.5 37.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.949 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -116.35 135.64 53.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.88 133.49 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.913 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.68 122.01 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.21 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -98.13 117.38 32.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.3 68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.92 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.89 170.65 55.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 70.15 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -81.83 -42.2 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 75.14 110.877 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -117.53 2.44 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.121 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 141.67 31.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -141.71 149.91 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.848 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.36 47.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 45.25 112.513 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -148.72 150.03 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.396 . . . . 74.12 110.917 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.6 162.86 36.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.157 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -137.04 147.44 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.11 111.158 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -142.5 144.81 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 72.31 111.169 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -104.82 122.78 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.69 148.85 47.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 64.41 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.61 -23.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.086 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.29 149.94 49.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.898 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.99 80.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.51 111.117 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.8 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.116 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -77.09 -32.7 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.123 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.04 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.13 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -67.66 -36.79 81.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.87 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 71.24 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.37 -49.78 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 73.04 111.144 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -39.94 68.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.846 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -44.06 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -72.25 -47.03 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 74.55 110.91 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.526 ' N ' HE21 ' A' ' 32' ' ' GLN . 31.8 t80 -57.23 -40.17 77.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.911 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -42.52 65.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 63.11 111.131 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -63.58 -46.34 86.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.43 110.867 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.77 -29.96 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.902 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.66 -7.24 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.866 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.91 22.95 56.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 73.03 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.95 119.34 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 73.15 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -127.08 144.54 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.64 -139.25 7.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 74.31 112.463 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.41 147.81 38.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 50.22 110.894 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -115.07 137.14 52.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.939 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 143.96 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 75.33 111.152 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -138.09 114.22 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -111.4 99.48 8.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.864 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.81 -13.98 57.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.896 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.35 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 71.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 p -111.31 5.58 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.43 111.132 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 49.37 44.42 23.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -126.01 139.51 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.125 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.75 161.33 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -145.93 154.65 42.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.085 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -145.8 120.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.149 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.1 m -111.98 141.24 45.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.32 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.871 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 74.2 110.91 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -110.26 159.6 17.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.24 130.0 52.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.45 110.858 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.18 131.37 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.936 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.09 123.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 75.53 111.147 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.01 118.5 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.899 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 66.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.902 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.46 45.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.491 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -42.34 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 75.33 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -117.87 14.77 14.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -157.07 142.15 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -140.78 149.69 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.887 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.1 178.29 45.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.489 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 132.79 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 73.42 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.45 149.23 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.186 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -140.71 147.45 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.152 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -144.71 144.82 31.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.3 111.142 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.01 122.92 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.89 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.17 154.16 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.55 -18.64 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.109 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.26 150.05 37.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.882 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.76 62.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.53 111.062 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.04 96.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.43 111.102 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 m -73.46 -44.66 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.133 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.104 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.29 -40.47 64.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -66.08 -38.82 89.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.89 -39.71 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.13 -52.47 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.884 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -40.23 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.538 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.98 -47.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 63.42 110.875 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.538 ' N ' HE21 ' A' ' 32' ' ' GLN . 1.3 m-85 -58.16 -42.0 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.935 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.43 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.36 -37.67 75.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.891 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.94 -23.99 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 -7.37 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 23.24 74.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.33 112.492 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -65.66 119.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 75.42 111.107 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.33 150.18 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.53 -125.54 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 51.43 112.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 75.41 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -122.12 137.2 54.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.932 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.22 144.18 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.13 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.57 113.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -106.84 99.34 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 73.4 110.88 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.65 -14.55 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.851 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.58 -44.75 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.075 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.0 p -110.96 7.57 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.107 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.96 31.71 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.3 110.927 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 t -115.95 138.9 50.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 74.4 111.14 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 165.78 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -144.45 154.73 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.16 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.07 121.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 70.31 111.106 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -116.23 141.24 48.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.159 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 74.31 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.29 156.62 19.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 55.15 110.916 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -123.65 135.49 53.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.54 110.913 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -103.32 133.15 48.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -106.45 116.85 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.32 111.129 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.99 126.95 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.904 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.72 68.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.61 149.2 29.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 74.03 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -79.85 -22.27 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 72.15 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 t -106.43 -19.3 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.162 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.9 143.76 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -127.44 149.99 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 73.45 112.517 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 154.28 46.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 75.15 110.908 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 p -141.89 161.62 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.15 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.51 147.31 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.01 111.136 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -144.79 145.2 31.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 122.82 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.98 156.07 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 64.55 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.59 -16.36 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.55 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 161.93 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.847 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.9 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.2 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -74.93 -36.2 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 75.43 111.158 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.28 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.52 111.068 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -50.82 69.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.15 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -60.78 -43.06 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.922 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.05 -39.94 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.124 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.41 -44.38 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.907 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.34 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.902 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.529 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.88 -47.05 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.931 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.529 ' N ' HE21 ' A' ' 32' ' ' GLN . 69.7 t80 -63.23 -40.69 98.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.972 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.08 55.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.1 111.093 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.71 -44.93 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 71.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.21 -24.15 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -7.23 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.67 23.21 62.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.468 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.44 128.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 74.42 111.112 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.34 142.5 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.86 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.78 -135.69 5.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 72.42 112.494 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -118.26 147.78 43.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 71.32 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -118.74 137.17 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.916 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.61 144.17 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.43 113.29 11.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -108.02 99.38 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 62.54 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -64.84 -14.28 58.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.842 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.52 -45.07 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.14 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.9 p -110.98 7.38 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.163 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.89 31.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 70.34 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 t -115.28 138.92 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 74.24 111.173 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -105.22 165.82 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.856 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.87 154.05 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 64.45 111.138 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.1 120.41 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 55.32 111.117 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.6 m -122.87 141.13 52.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.187 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.908 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.796 0.331 . . . . 74.44 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -128.1 160.36 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -115.91 135.36 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.897 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.23 133.98 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.922 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.63 124.05 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.35 111.089 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.76 126.85 43.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.11 68.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.88 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.07 170.69 55.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 44.2 112.52 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -42.61 20.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 75.51 110.887 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -118.12 -1.06 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.53 111.12 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 142.11 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -140.38 149.29 42.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.932 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.41 177.5 47.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 71.04 112.482 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -142.81 156.25 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.88 163.52 34.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.11 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.86 159.43 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.159 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.4 m -145.25 142.35 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.161 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.6 122.71 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.862 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.24 150.55 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.102 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -84.25 -22.88 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.131 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.47 149.86 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.883 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.94 -38.19 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.35 111.124 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.16 -35.93 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.092 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -76.94 -34.77 57.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.149 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.76 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.1 111.036 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.7 -36.73 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.3 -37.02 79.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 64.45 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 t -56.92 -51.17 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.108 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -39.13 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -46.0 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.897 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.538 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -71.57 -46.83 58.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.934 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.538 ' N ' HE21 ' A' ' 32' ' ' GLN . 18.0 t80 -56.82 -40.19 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.917 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.17 -45.86 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.072 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.48 -46.32 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.884 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.66 -31.48 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.03 -7.09 59.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.845 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.7 22.99 57.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 63.33 112.469 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 125.35 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 71.33 111.119 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -124.02 142.47 51.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.48 -156.21 26.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 71.52 112.513 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -106.26 132.68 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 75.31 110.883 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -106.39 163.15 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.927 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -142.91 155.72 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.126 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -139.18 113.45 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.94 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.36 97.51 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.862 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.9 -13.42 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.838 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.52 59.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -112.02 2.33 16.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 73.11 111.11 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 47.73 37.33 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -113.39 139.31 49.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.122 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.29 153.62 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.896 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.55 111.116 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -137.06 118.28 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.095 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 p -104.41 129.36 52.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 52.11 111.101 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.55 110.836 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.829 0.347 . . . . 65.52 110.941 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.02 142.76 42.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.923 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -116.43 129.5 56.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.15 131.91 44.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.901 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -117.44 112.06 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 71.25 111.182 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -99.09 123.64 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.883 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.74 68.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.47 162.9 51.28 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.735 . . . . 74.02 112.528 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -41.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 74.14 110.93 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -117.21 5.71 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.32 111.158 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.13 138.31 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.71 150.03 41.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.716 -0.754 . . . . 65.04 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.66 140.3 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 65.44 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.24 160.04 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.52 111.172 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -144.07 149.13 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -144.72 144.75 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.119 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -104.95 123.02 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.05 154.77 48.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.5 -18.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.103 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.16 150.05 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.49 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.076 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.94 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 72.41 111.121 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.0 m -63.92 -42.61 97.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.169 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.36 75.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 54.14 111.108 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -37.41 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -61.16 -38.75 87.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.89 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.47 -47.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 53.12 111.142 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.12 -52.51 63.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.868 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -39.71 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.449 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.62 -47.19 82.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.898 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.449 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.2 t80 -70.7 -28.36 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.54 -48.06 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.43 111.131 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.22 -34.67 78.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.919 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.12 -21.2 58.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.878 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -7.62 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.861 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.66 23.81 59.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 62.34 112.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.28 134.15 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 74.3 111.12 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -126.73 142.32 51.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.45 -135.43 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 72.44 112.484 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 147.77 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 74.21 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -112.07 137.11 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.911 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.05 149.14 37.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.122 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -133.45 113.36 12.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.93 99.36 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 62.34 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -64.86 -14.11 58.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.887 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.53 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.6 p -111.3 6.31 20.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.154 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 49.35 42.11 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.905 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -126.08 139.04 53.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.01 111.131 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.12 158.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 p -146.18 154.83 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.158 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 HG12 HD22 ' A' ' 7' ' ' LEU . 5.8 p -131.89 119.27 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.02 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -114.12 141.1 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.32 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.864 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 73.12 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -109.27 160.04 16.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 73.22 110.93 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -123.63 135.56 54.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.912 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -97.47 124.78 41.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 70.12 110.964 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.81 111.88 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.102 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.69 135.56 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.953 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.48 80.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.859 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.99 152.27 34.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 74.45 112.502 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -82.18 -20.7 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 75.32 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 t -108.86 -19.94 13.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.03 111.175 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.64 143.88 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.927 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -109.93 148.57 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.924 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.72 178.23 47.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 73.14 112.497 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -150.17 150.79 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 75.23 110.887 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.74 48.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.107 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -122.19 147.07 46.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -145.11 145.93 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.13 111.152 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.54 122.31 44.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.911 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 153.22 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 63.2 111.095 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.59 -19.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.133 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.2 150.16 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.857 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.64 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.077 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.68 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.03 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 74.41 111.176 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.122 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.53 -42.55 92.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.899 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -66.32 -38.8 88.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.85 -38.71 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.099 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.42 -52.51 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -43.03 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.0 -46.85 79.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.931 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' N ' HE21 ' A' ' 32' ' ' GLN . 28.5 t80 -64.1 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.934 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.17 66.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 41.31 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.37 -45.92 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -64.68 -26.48 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.864 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.85 -7.28 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.94 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.89 74.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 64.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 119.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 72.31 111.09 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -127.22 145.38 50.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 61.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.57 -133.19 4.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 71.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -115.1 140.77 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 75.22 110.868 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -115.34 137.28 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.874 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 145.63 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 75.22 111.157 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.34 113.33 12.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -105.3 99.01 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.04 -14.18 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.35 -45.19 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.2 111.125 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.0 p -110.81 6.99 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.33 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 49.55 38.81 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.886 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 t -122.49 138.83 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.132 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -105.33 162.82 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.15 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 m -146.0 150.85 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 71.22 111.153 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.18 120.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.108 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -110.22 130.31 55.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 71.24 111.112 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.876 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.796 0.332 . . . . 74.2 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -109.38 161.32 15.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.915 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -120.75 137.94 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.21 123.88 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.95 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.03 118.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.22 111.132 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.5 126.52 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.91 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.92 68.93 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.888 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.34 168.26 50.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -41.79 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.52 110.928 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.26 -0.12 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.14 111.138 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.25 139.23 40.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.908 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -141.65 150.19 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.906 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.92 177.38 48.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -146.29 139.51 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 73.43 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.43 147.14 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.23 111.143 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -123.9 146.81 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.14 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -145.52 144.94 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 72.44 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.33 136.41 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.24 155.3 50.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.088 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.77 -21.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.89 149.63 47.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.858 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.53 -39.77 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.84 98.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.116 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -77.44 -32.52 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.151 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.4 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.088 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -64.33 -36.33 83.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -60.31 -39.63 87.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.0 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.138 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -65.1 -52.77 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -40.4 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.523 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -64.27 -47.05 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.891 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.523 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.6 m-85 -61.7 -39.18 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.92 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.64 -46.21 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.24 111.143 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -61.38 -46.33 90.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.06 -17.23 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.65 -8.05 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 24.33 72.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.23 112.502 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.54 118.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.53 111.131 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -128.64 141.93 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.5 -131.66 3.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 74.43 112.459 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -119.33 148.24 43.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.346 . . . . 72.43 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -110.82 137.16 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.972 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 149.84 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.13 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -133.32 113.81 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -104.11 98.9 8.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.849 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.15 -14.32 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.72 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.06 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.7 p -111.43 8.49 21.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 72.42 111.139 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 33.01 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.86 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 t -121.06 139.14 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.185 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -111.2 161.6 15.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.89 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -147.09 155.03 41.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.119 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -132.0 118.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.062 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -98.45 141.26 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.144 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.892 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 75.53 110.947 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -123.43 160.83 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.892 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 136.53 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.91 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.42 133.21 42.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.945 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.21 126.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.117 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -104.27 111.54 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 73.15 110.902 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.61 68.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.55 167.03 46.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 62.01 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -81.61 -42.21 20.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 73.42 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 t -117.8 0.26 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.81 141.95 40.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.898 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -141.79 149.73 40.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.75 177.44 47.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 74.42 112.494 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -143.18 144.1 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 72.35 110.917 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 155.7 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 72.01 111.116 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -139.71 146.59 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.01 111.096 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.76 146.68 31.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.86 122.29 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.873 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.56 159.45 42.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.073 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.48 -16.49 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 71.32 111.1 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.33 148.75 51.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 71.32 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.06 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.126 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.62 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.145 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -77.12 -32.81 56.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.126 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.099 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -62.69 -49.19 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.945 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -58.92 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.922 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -56.75 -53.64 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.168 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.02 -31.61 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.1 110.889 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -42.42 97.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.537 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.48 -46.79 37.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.93 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.537 ' N ' HE21 ' A' ' 32' ' ' GLN . 3.2 t80 -60.87 -42.03 97.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.888 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -46.21 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.07 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.26 -35.3 79.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.94 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.06 -30.24 66.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.13 -7.2 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.885 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.35 61.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 64.14 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.34 134.48 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 71.21 111.102 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.21 142.16 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 51.41 110.863 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.96 -138.85 5.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 75.32 112.465 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.38 147.79 46.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 74.34 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -118.02 139.47 51.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -113.4 155.47 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.41 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -145.65 113.45 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.06 98.59 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 73.35 110.863 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -13.51 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.69 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.15 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.4 p -111.39 2.71 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.151 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 49.05 47.46 21.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -125.84 139.09 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 65.02 111.148 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -115.5 155.99 26.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.861 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -145.97 154.64 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.154 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -139.52 118.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.119 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.6 m -120.83 133.34 55.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.924 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.796 0.331 . . . . 73.42 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -119.96 160.56 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -115.14 135.54 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.31 129.77 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.46 125.14 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.17 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.01 115.05 27.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.908 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.93 66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.7 165.16 43.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 60.32 112.479 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -81.87 -42.16 19.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 73.33 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -117.59 15.5 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.99 141.83 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -141.53 149.94 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.88 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.68 178.42 47.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 34.12 112.518 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -148.8 133.15 17.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 65.44 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.88 156.37 49.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 74.25 111.123 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.15 155.02 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.158 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 m -145.45 143.58 30.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.138 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.33 129.17 56.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.01 156.42 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 63.41 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.52 -21.22 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.118 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.3 148.79 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.862 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.3 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.068 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.94 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 64.11 111.126 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.2 m -76.94 -39.23 51.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 73.14 111.156 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.06 89.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.114 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.44 -36.89 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -60.26 -35.68 76.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 t -55.99 -51.55 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.145 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.25 -36.7 66.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.856 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.34 -53.81 53.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.552 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.98 -46.29 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.938 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.552 ' N ' HE21 ' A' ' 32' ' ' GLN . 19.5 t80 -58.41 -44.55 89.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.935 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.43 -46.3 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.34 111.051 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.11 -46.53 88.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.88 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.26 -23.89 62.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -4.23 56.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.1 23.46 74.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 61.11 112.459 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.24 138.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 74.4 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.42 141.81 48.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.879 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.54 -156.49 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 73.21 112.463 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.42 138.81 52.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 75.31 110.886 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -102.97 137.04 41.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.924 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.89 143.85 45.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 64.13 111.157 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -133.26 113.26 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 72.11 110.956 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.4 99.11 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.838 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -13.61 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.873 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.11 62.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.101 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.9 p -111.79 3.11 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.179 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 49.07 47.71 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.907 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 139.03 53.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 72.24 111.135 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -111.84 150.21 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.52 110.916 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -146.42 154.97 42.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 62.14 111.102 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.59 120.34 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.115 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -98.83 123.94 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.44 111.16 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.916 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.354 . . . . 73.34 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -109.38 159.99 16.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.938 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -125.72 135.46 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.889 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.16 133.06 45.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.44 110.931 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.42 128.59 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.144 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.28 111.47 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.916 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.28 70.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.881 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.71 168.9 46.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.449 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -42.07 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 64.21 110.887 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.46 -1.39 11.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.41 111.119 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.21 142.02 42.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.892 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -140.85 149.79 42.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.86 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.4 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 53.44 112.485 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.34 157.57 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.387 . . . . 72.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.53 162.81 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.34 111.148 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 p -139.5 147.39 41.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.15 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -144.7 141.88 29.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.26 122.99 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.35 110.857 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 147.02 32.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.75 -24.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 72.13 111.147 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -117.78 150.14 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 52.15 110.897 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.29 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 111.054 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.28 96.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.149 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -76.85 -35.65 57.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.172 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.44 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.083 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.2 tt0 -67.24 -37.37 83.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.921 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -66.49 -32.03 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.99 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.41 111.086 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -73.89 -29.96 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.37 72.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.877 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.36 -46.89 37.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.863 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.545 ' N ' HE21 ' A' ' 32' ' ' GLN . 73.5 t80 -56.39 -43.41 79.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.919 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.57 -46.08 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 70.43 111.113 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.68 -45.43 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.66 -26.86 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -7.18 57.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.25 63.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 74.51 112.44 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.47 128.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 73.15 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.41 142.47 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.866 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.6 -130.87 3.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 62.15 112.501 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -128.35 147.88 50.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 74.33 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -108.77 137.1 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.971 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.21 36.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 73.15 111.146 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -133.28 113.51 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.06 99.43 9.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 71.42 110.849 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.86 -14.14 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.838 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -45.92 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 p -111.73 7.38 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.02 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 49.2 40.57 18.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 t -126.07 139.07 53.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.158 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.59 157.95 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.871 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -146.35 154.99 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.45 111.158 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -128.39 120.41 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 71.11 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -100.36 141.17 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.53 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.88 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.884 0.374 . . . . 71.24 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -120.62 160.26 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 70.33 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -116.18 135.45 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tp -115.72 133.12 56.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.892 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.95 126.84 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.33 111.11 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.18 118.67 35.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.884 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.41 68.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.905 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 166.82 51.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -78.59 -42.06 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 72.34 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -117.42 -0.79 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 65.44 111.141 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.35 142.08 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 72.34 110.903 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.53 149.92 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.837 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.39 47.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 72.13 112.497 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -147.19 141.23 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.933 0.397 . . . . 74.42 110.897 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.35 162.77 34.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.4 p -141.12 151.26 43.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.176 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -144.65 144.72 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -105.17 133.63 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.882 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.35 148.0 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.119 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.39 -24.32 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.21 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -124.75 149.94 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.96 -38.53 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.31 111.082 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 54.2 111.087 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.8 m -76.89 -35.44 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.25 111.137 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.25 96.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.4 111.126 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.28 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.42 110.908 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -66.59 -31.62 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.02 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.46 -52.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.35 111.118 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.7 p90 -73.56 -30.09 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.894 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -66.1 -52.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.896 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.543 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.57 -46.99 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.937 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.543 ' N ' HE21 ' A' ' 32' ' ' GLN . 45.0 t80 -55.14 -40.82 71.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.93 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -46.04 55.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 71.21 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.32 -45.66 90.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.0 -33.48 68.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.903 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -78.73 -7.13 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.11 23.03 50.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.79 119.2 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 75.21 111.112 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -127.53 142.04 51.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.04 -140.47 8.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 75.43 112.447 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -111.12 138.49 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 74.12 110.88 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -105.88 137.24 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 74.3 110.935 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.55 143.99 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 60.15 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -134.41 113.27 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 65.55 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -111.49 98.88 7.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -13.85 59.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.852 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.55 -45.93 60.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.4 p -111.72 6.1 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.097 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 48.94 42.68 20.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -126.0 138.91 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 73.02 111.127 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -113.57 156.57 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.2 p -145.88 155.0 42.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 74.02 111.154 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.56 134.36 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.161 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.2 p -124.08 119.68 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.146 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 73.24 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 75.04 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -109.03 162.28 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.953 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -114.55 137.23 52.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.898 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -96.86 133.69 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 71.31 110.902 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.99 118.92 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 72.55 111.113 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.92 129.73 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.896 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.93 68.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.872 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.91 37.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 75.1 112.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -81.77 -42.13 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 71.41 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -117.61 5.1 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.22 111.158 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.46 139.05 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.917 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -141.83 150.94 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.906 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.94 175.63 46.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 65.35 112.523 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -150.1 139.02 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 51.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.49 159.49 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.05 111.151 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 p -131.55 146.68 52.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 61.33 111.141 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -145.74 145.84 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.153 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.05 135.0 46.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.89 162.62 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.097 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.4 -16.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -135.1 149.3 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.873 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.75 -40.63 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.15 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.01 98.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 75.53 111.065 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -77.48 -32.39 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.147 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.78 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.115 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.13 -37.01 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -60.75 -35.85 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -56.23 -50.29 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 75.44 111.142 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -68.58 -38.53 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -49.04 78.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.894 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.564 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -75.3 -47.01 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.564 ' N ' HE21 ' A' ' 32' ' ' GLN . 65.5 t80 -56.77 -45.27 82.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.878 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.54 -47.23 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.11 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -60.81 -32.54 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.52 -20.93 34.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -100.71 -3.63 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.82 24.5 72.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.21 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.6 138.23 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 73.53 111.156 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -128.57 141.22 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.33 10.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 71.32 112.474 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.21 148.21 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 72.42 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -112.81 151.65 30.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.05 144.05 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.164 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.19 114.29 13.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.908 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.61 99.56 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 62.14 110.814 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.21 -13.15 57.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.62 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.34 111.088 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.7 -4.49 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.125 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 55.58 22.7 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.903 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 t -90.38 139.5 30.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 55.33 111.161 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.56 142.31 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.87 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -145.55 155.09 42.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 74.12 111.132 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -141.0 118.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.24 111.124 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -102.4 141.13 35.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.167 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.844 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.331 . . . . 74.41 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -109.29 160.2 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.935 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 135.55 53.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.96 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.71 123.99 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.878 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.51 117.56 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.44 111.076 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 65.51 110.881 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.07 67.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 63.13 110.852 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 167.37 48.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 63.45 112.492 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -81.97 -41.94 20.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.15 110.927 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -117.17 2.88 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 75.04 111.151 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.63 140.59 31.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.92 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.21 149.72 51.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.878 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.73 177.87 48.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 54.24 112.508 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -148.87 143.45 26.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 75.03 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.13 152.11 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 60.21 111.141 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -141.51 146.84 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.123 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -145.43 145.67 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.122 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.34 125.1 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.15 158.33 32.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 51.31 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.83 -15.25 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.172 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.39 150.07 48.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.51 73.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.46 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.23 111.085 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -76.9 -31.88 57.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.25 111.134 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.25 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 63.44 111.066 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -65.62 -48.68 71.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.878 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -31.1 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 70.55 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -56.7 -53.37 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.43 111.1 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.489 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.9 p90 -73.82 -29.96 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.839 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -49.24 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.556 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.46 -46.77 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.906 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.556 ' N ' HE21 ' A' ' 32' ' ' GLN . 48.3 t80 -55.88 -44.17 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.947 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.57 -46.06 56.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.073 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -58.33 -45.29 88.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.6 -27.46 64.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.873 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.46 -4.32 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 60.32 110.933 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.75 23.63 72.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 70.53 112.491 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.26 127.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.23 111.126 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 141.9 51.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.85 -135.62 5.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 70.41 112.489 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.64 147.91 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 75.52 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -106.88 163.29 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 65.21 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.82 144.18 39.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 74.52 111.15 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.45 113.21 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.923 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.39 98.97 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.828 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.13 -14.33 60.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.84 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.77 -45.87 60.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 p -111.72 7.85 20.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.03 111.12 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.64 33.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.892 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 t -119.17 138.9 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.33 111.163 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -105.41 165.72 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -146.33 154.96 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.144 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.11 118.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.156 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.5 m -110.42 130.97 55.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 72.32 111.154 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.779 0.323 . . . . 75.24 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.71 162.44 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.941 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -119.55 109.74 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 74.32 110.927 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.18 133.36 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.939 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.98 132.58 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.111 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.8 mt -102.13 124.64 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.91 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.69 69.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.896 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.77 165.49 44.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 52.45 112.488 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.82 -42.5 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.12 110.925 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -117.66 13.41 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 75.42 111.1 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.22 144.21 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.886 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -141.11 151.36 43.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.892 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.96 177.42 48.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 75.41 112.532 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.6 133.85 38.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 74.44 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 134.28 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.15 111.143 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 p -141.45 147.32 37.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.138 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -144.79 147.59 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.14 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 121.22 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.907 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.68 145.31 48.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.114 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 t -88.63 -28.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.45 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.33 149.39 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 70.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.069 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 70.2 111.113 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.9 m -76.59 -32.71 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 72.34 111.124 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.71 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 65.11 111.117 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -44.69 74.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.883 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -66.6 -38.06 86.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.55 -36.77 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 54.21 111.137 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -64.43 -51.29 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.824 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -35.69 73.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.863 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.61 -47.57 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.914 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.3 t80 -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.95 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.1 -47.04 47.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 72.34 111.082 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.18 -33.34 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.53 -21.79 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.33 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.53 -7.39 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.87 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.29 24.65 60.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 65.41 112.452 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -64.96 125.5 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 73.3 111.102 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -128.98 142.0 51.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.842 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.45 -140.15 8.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 65.33 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -103.18 148.34 25.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 71.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -115.17 137.25 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.91 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 144.02 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.22 111.121 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -135.95 113.46 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.928 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.8 98.43 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.7 -13.63 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.903 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.94 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.11 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -111.55 3.68 18.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.54 111.119 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 48.94 46.83 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.865 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.8 t -125.78 138.74 53.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.23 154.99 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.911 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -146.11 154.68 42.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 63.52 111.143 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.8 p -138.77 130.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.128 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -110.96 120.94 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.135 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.9 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.819 0.342 . . . . 73.51 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -128.0 162.54 26.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.941 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -114.83 135.99 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.59 133.4 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.938 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.41 128.29 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.135 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.39 118.63 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.914 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 66.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.0 165.28 50.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.8 -41.95 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 63.02 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -117.16 13.19 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.3 111.157 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.99 141.99 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -140.2 149.72 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.75 177.48 48.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 71.34 112.475 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -150.79 132.97 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 72.25 110.851 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.93 150.82 49.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 71.22 111.173 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.8 p -126.81 147.25 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.04 111.198 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -141.63 143.29 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 73.15 111.133 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -104.73 121.93 44.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.79 147.98 27.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.06 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.6 -23.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.53 111.116 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 149.44 50.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -24.85 61.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 61.53 111.05 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.36 83.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 72.24 111.058 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -70.51 -42.04 71.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 74.55 111.166 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.11 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.052 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.39 -51.91 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.04 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -37.82 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.93 -48.81 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.101 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -71.78 -41.79 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.837 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -42.9 72.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.546 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.34 -46.98 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 71.21 110.942 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.1 t80 -57.63 -42.81 84.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.45 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.11 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.9 -45.25 82.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.895 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.96 -33.63 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.925 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.45 -1.17 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.92 22.9 67.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.505 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.0 119.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 74.04 111.161 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.26 149.94 49.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 75.32 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.13 -154.06 25.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 54.02 112.46 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -99.93 129.63 46.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 73.43 110.904 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -102.45 136.7 41.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.93 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.02 144.07 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.152 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.67 113.05 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 74.4 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -121.53 99.53 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 60.44 110.914 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -65.35 -12.69 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.33 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 62.3 111.089 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -112.17 0.18 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 49.99 49.4 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 73.2 110.92 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -121.14 139.2 53.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.12 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -119.3 142.66 47.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.918 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -147.6 154.79 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.51 111.177 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.46 134.64 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.115 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -124.13 120.2 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 74.14 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 72.53 110.943 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -109.21 155.17 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -116.29 135.59 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 61.33 110.922 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.03 133.3 53.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.935 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -109.45 120.62 61.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 73.12 111.138 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.63 117.36 31.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.946 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.1 65.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 53.32 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 146.59 17.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.55 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -82.73 -19.63 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 72.33 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.5 p -99.42 -20.06 16.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.135 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.44 143.54 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 70.42 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 148.42 52.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.17 179.16 48.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.483 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.83 133.02 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.52 110.911 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.2 51.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.127 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -146.92 147.08 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.17 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -144.8 145.16 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.17 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.85 122.84 46.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.845 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.48 154.47 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.03 111.129 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 t -86.92 -19.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 54.42 111.111 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.03 149.33 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.871 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.14 66.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.19 96.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.068 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.0 m -76.74 -40.53 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.43 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.22 -38.67 82.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.33 111.108 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 tt0 -61.02 -39.82 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 70.43 110.872 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -66.63 -32.42 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.9 -52.84 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -73.48 -30.12 62.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -45.62 81.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.918 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.13 -45.04 51.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.914 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.526 ' N ' HE21 ' A' ' 32' ' ' GLN . 6.1 t80 -60.8 -41.53 95.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.29 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.13 111.03 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -62.41 -43.53 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.92 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.13 -24.81 63.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.854 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.01 -7.0 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.907 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.9 23.41 66.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.521 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.34 130.87 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 74.55 111.118 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -127.84 137.62 52.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.53 -132.98 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 72.04 112.519 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -128.13 148.24 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 74.3 110.913 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -107.74 137.22 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.83 150.86 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.1 111.138 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.35 113.32 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.921 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -102.02 99.14 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.21 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.93 -14.06 58.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 62.33 110.868 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.32 -45.68 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 60.24 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.7 p -111.42 6.36 20.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 60.51 111.148 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 49.3 42.13 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.919 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 t -125.91 139.05 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.164 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -105.17 155.68 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.6 t -146.31 155.02 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.117 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.72 118.01 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 m -111.01 136.33 50.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.53 111.149 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 64.4 110.883 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 71.33 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.69 158.92 22.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 63.03 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.8 136.68 53.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 71.25 110.886 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.06 132.95 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.922 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.11 115.81 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 72.24 111.128 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.05 111.46 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.94 68.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.928 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 149.57 23.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 75.24 112.499 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -81.45 -22.61 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 74.24 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 t -107.88 -19.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.131 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.97 143.82 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.927 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -128.6 149.95 50.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.933 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.88 177.21 47.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 72.24 112.48 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 157.81 45.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 71.43 110.88 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.06 163.46 32.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.092 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.56 147.27 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.34 111.142 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.9 m -144.85 144.64 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.141 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.04 122.89 46.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.65 153.66 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.129 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.61 -17.05 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.16 157.61 44.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.95 61.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.21 111.052 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.94 90.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.155 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.4 m -76.51 -36.3 57.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.136 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.2 75.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 73.52 111.126 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.72 -50.74 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -43.41 97.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.85 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.98 -47.07 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 71.32 111.156 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.03 -48.75 78.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -33.75 76.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.438 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.78 -47.27 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.934 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.438 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.1 t80 -71.05 -29.7 65.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.959 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.42 46.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 73.15 111.107 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -34.24 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.24 110.83 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.92 -21.68 58.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.9 -7.52 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.2 24.09 59.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 75.34 112.514 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -65.13 130.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 74.12 111.149 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -127.7 146.83 50.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.19 -133.49 4.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.488 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.73 147.95 45.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 71.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -118.08 136.95 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.59 143.98 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 65.31 111.162 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -136.88 113.5 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -101.33 99.27 9.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 72.45 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.14 -13.09 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 65.2 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.49 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 55.4 111.106 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -112.09 5.83 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.154 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 49.13 46.64 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.55 139.49 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.43 111.162 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -105.99 155.89 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -145.96 155.2 42.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.5 111.166 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.16 118.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.171 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -117.41 140.75 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.11 111.13 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 75.11 110.896 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 62.34 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -109.14 162.81 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -113.23 136.57 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.946 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.39 133.49 41.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.954 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -123.32 111.52 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.14 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.14 112.28 24.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.99 66.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.94 162.63 54.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 52.23 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.1 -42.86 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 75.45 110.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -117.82 14.86 14.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.43 111.184 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.2 142.36 17.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 75.21 110.917 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -136.45 149.74 48.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.91 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.88 178.01 48.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 73.03 112.468 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.64 143.19 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 60.13 110.863 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -137.06 143.9 42.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 71.41 111.114 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -127.58 145.14 50.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.147 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -147.1 146.17 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.161 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -103.59 121.79 43.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.63 150.46 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 111.09 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.0 -22.29 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 64.42 111.138 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.58 149.76 52.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.857 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.36 -38.38 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 75.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.36 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.069 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.5 m -76.88 -33.23 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.171 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.071 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tt0 -66.58 -44.86 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.885 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.27 -53.31 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.118 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 2.0 p90 -73.93 -30.01 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.96 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.903 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.542 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.29 -46.48 40.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.902 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.542 ' N ' HE21 ' A' ' 32' ' ' GLN . 52.5 t80 -55.36 -41.85 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.938 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.49 -45.64 58.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 63.04 111.086 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.52 -46.39 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.866 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.78 -29.05 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 73.41 110.859 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.57 -3.27 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.856 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.01 61.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 71.23 112.502 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.62 119.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 70.41 111.133 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.29 141.79 51.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.55 110.855 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.87 -142.92 9.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 72.32 112.478 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -114.36 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 74.03 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.8 162.84 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.957 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -146.52 155.47 42.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.196 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -137.28 113.15 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 70.12 110.927 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.31 98.17 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.857 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.01 -13.95 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.86 -46.84 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.096 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -112.18 6.82 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.4 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.55 34.63 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 65.34 110.923 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -118.27 139.28 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.134 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -109.36 160.44 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -146.21 147.56 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.1 111.168 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -133.91 118.2 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 75.15 111.124 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -97.62 114.22 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 75.2 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.903 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.758 0.313 . . . . 74.44 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.86 147.77 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.9 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.55 154.82 24.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.939 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.47 135.29 53.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.884 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -101.9 133.1 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.81 119.64 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.31 123.8 42.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.897 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.41 68.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.71 168.5 49.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 74.22 112.486 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -41.98 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 73.1 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.17 -1.24 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 139.23 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.89 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -141.64 149.93 41.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.55 110.933 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.27 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 54.01 112.455 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.1 133.57 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 74.33 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.44 155.55 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 71.21 111.132 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.1 p -139.58 153.58 47.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -144.57 144.77 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 62.53 111.17 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.07 123.08 47.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.6 148.8 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.089 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.57 -23.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.52 111.119 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.2 150.02 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.884 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -35.16 69.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 64.21 111.124 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.89 83.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.03 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -76.05 -44.64 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.45 111.123 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.29 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.091 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -67.34 -37.24 82.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.44 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -64.58 -42.11 95.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 63.35 110.935 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.44 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.162 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -67.84 -52.48 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.51 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.69 -46.86 62.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 64.14 110.851 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' N ' HE21 ' A' ' 32' ' ' GLN . 76.7 t80 -65.81 -38.96 90.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.962 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.96 57.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 44.34 111.159 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.97 -25.62 63.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.841 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.79 -7.28 58.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 53.12 110.881 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 23.05 63.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.31 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.54 130.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 73.53 111.134 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.17 142.67 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.839 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.25 -136.29 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -120.15 147.7 44.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.335 . . . . 74.44 110.898 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -119.85 137.2 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.17 144.95 43.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.33 111.157 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -133.29 113.29 12.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.05 110.908 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -108.1 99.11 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 72.51 110.889 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.11 -14.0 59.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 65.13 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.35 63.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.2 p -111.13 5.68 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.127 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 49.47 42.88 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 t -125.3 138.88 54.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.17 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.21 155.57 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.33 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 t -146.12 154.73 42.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 71.13 111.147 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -134.17 121.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 73.11 111.124 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.3 m -114.11 141.17 47.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 75.42 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.866 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.714 0.292 . . . . 70.54 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 140.78 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.7 159.2 19.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.896 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -124.4 135.42 53.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 70.24 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.0 130.35 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.922 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.79 126.77 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.061 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.01 119.92 39.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.909 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 69.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.9 164.85 45.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 73.41 112.44 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -41.71 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 75.01 110.865 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.12 15.35 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.45 111.133 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.79 140.16 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.04 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.1 150.03 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.926 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.35 47.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.689 -0.767 . . . . 72.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.68 156.44 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 75.42 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.32 162.68 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 61.54 111.163 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -142.16 147.58 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 60.25 111.138 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -144.62 144.68 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -106.53 122.98 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.6 146.0 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.41 111.127 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.65 -25.17 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.106 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.15 150.08 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 72.05 110.852 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.59 70.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.082 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.78 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.08 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -73.78 -41.92 61.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 63.1 111.147 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.17 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 73.12 111.118 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.76 -39.39 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -65.58 -38.82 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.94 -36.59 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.139 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -65.0 -52.5 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.33 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -36.53 80.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.89 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.75 -46.93 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' N ' HE21 ' A' ' 32' ' ' GLN . 42.2 t80 -65.61 -37.97 88.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 72.02 110.93 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.37 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 75.13 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -58.55 -46.13 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.88 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.98 -26.24 65.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.838 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -7.13 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.45 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.92 22.9 70.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.514 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -66.14 119.43 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 74.14 111.118 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -127.15 143.78 51.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.33 110.86 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.69 -134.66 4.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 71.15 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.26 137.73 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 75.24 110.864 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -114.35 137.05 52.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.947 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 145.9 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 73.43 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -133.38 113.23 12.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.937 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.73 99.0 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -65.18 -14.01 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.877 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.62 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.088 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -111.35 6.25 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.121 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.65 33.05 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.939 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.2 t -112.91 139.04 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.083 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.06 153.76 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -146.13 154.73 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.12 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.23 121.25 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.147 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -111.3 141.12 45.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 61.3 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.886 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.722 0.296 . . . . 74.51 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.93 147.91 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 73.02 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.01 158.5 37.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.949 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -116.35 135.64 53.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.88 133.49 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.913 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.68 122.01 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.21 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -98.13 117.38 32.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.3 68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.92 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.89 170.65 55.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 70.15 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -81.83 -42.2 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 75.14 110.877 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -117.53 2.44 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.121 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 141.67 31.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 74.54 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -141.71 149.91 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.848 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.36 47.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 45.25 112.513 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -148.72 150.03 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.396 . . . . 74.12 110.917 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.6 162.86 36.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.157 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -137.04 147.44 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.11 111.158 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -142.5 144.81 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 72.31 111.169 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -104.82 122.78 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.69 148.85 47.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 64.41 111.132 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.61 -23.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.086 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.29 149.94 49.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.898 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.99 80.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.51 111.117 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.8 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.116 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -77.09 -32.7 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.123 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.04 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.13 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -67.66 -36.79 81.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.87 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 71.24 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.37 -49.78 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 73.04 111.144 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -39.94 68.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.846 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -44.06 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -72.25 -47.03 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 74.55 110.91 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.526 ' N ' HE21 ' A' ' 32' ' ' GLN . 31.8 t80 -57.23 -40.17 77.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.911 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.36 -42.52 65.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 63.11 111.131 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -63.58 -46.34 86.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.43 110.867 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.77 -29.96 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.902 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.66 -7.24 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.866 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.91 22.95 56.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 73.03 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.95 119.34 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 73.15 111.113 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -127.08 144.54 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.64 -139.25 7.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 74.31 112.463 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.41 147.81 38.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 50.22 110.894 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -115.07 137.14 52.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.939 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 143.96 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 75.33 111.152 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -138.09 114.22 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -111.4 99.48 8.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.864 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.81 -13.98 57.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.896 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.35 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 71.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 p -111.31 5.58 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.43 111.132 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 49.37 44.42 23.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.0 t -126.01 139.51 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.125 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.75 161.33 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -145.93 154.65 42.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.085 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -145.8 120.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.149 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.1 m -111.98 141.24 45.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.32 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.871 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.754 0.311 . . . . 75.12 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.56 137.47 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -110.26 159.6 17.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.24 130.0 52.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.45 110.858 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.18 131.37 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.936 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.09 123.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 75.53 111.147 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.01 118.5 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.899 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 66.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.902 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.46 45.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.491 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -42.34 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 75.33 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -117.87 14.77 14.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -157.07 142.15 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -140.78 149.69 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.887 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.1 178.29 45.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.489 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 132.79 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 73.42 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.45 149.23 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 75.15 111.186 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -140.71 147.45 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.152 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -144.71 144.82 31.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.3 111.142 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.01 122.92 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.89 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.17 154.16 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.55 -18.64 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.109 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.26 150.05 37.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.882 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.76 62.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.53 111.062 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.04 96.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.43 111.102 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 m -73.46 -44.66 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.133 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.104 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.29 -40.47 64.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -66.08 -38.82 89.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.89 -39.71 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.13 -52.47 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.884 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -40.23 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.538 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.98 -47.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 63.42 110.875 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.538 ' N ' HE21 ' A' ' 32' ' ' GLN . 1.3 m-85 -58.16 -42.0 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.935 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.43 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.36 -37.67 75.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.891 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.94 -23.99 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 -7.37 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 23.24 74.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.33 112.492 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -65.66 119.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 75.42 111.107 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.33 150.18 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.53 -125.54 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 51.43 112.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 75.41 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -122.12 137.2 54.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.932 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.22 144.18 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.21 111.13 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.57 113.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -106.84 99.34 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 73.4 110.88 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.65 -14.55 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.851 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.58 -44.75 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.075 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.0 p -110.96 7.57 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.107 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.96 31.71 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.3 110.927 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 t -115.95 138.9 50.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 74.4 111.14 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 165.78 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -144.45 154.73 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.16 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.07 121.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 70.31 111.106 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -116.23 141.24 48.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.159 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.711 0.291 . . . . 72.44 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.92 147.92 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.29 156.62 19.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 55.15 110.916 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -123.65 135.49 53.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.54 110.913 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tt -103.32 133.15 48.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -106.45 116.85 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.32 111.129 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.99 126.95 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.904 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.72 68.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.61 149.2 29.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 74.03 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -79.85 -22.27 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 72.15 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 t -106.43 -19.3 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.162 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.9 143.76 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -127.44 149.99 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 73.45 112.517 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 154.28 46.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 75.15 110.908 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 p -141.89 161.62 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.15 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.51 147.31 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.01 111.136 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -144.79 145.2 31.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.119 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 122.82 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.98 156.07 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 64.55 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.59 -16.36 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.55 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 161.93 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.847 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.9 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.2 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.5 m -74.93 -36.2 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 75.43 111.158 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.28 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.52 111.068 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -50.82 69.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.15 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -60.78 -43.06 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.922 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.05 -39.94 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.124 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.41 -44.38 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.907 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.34 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.54 110.902 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.529 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.88 -47.05 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.931 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.529 ' N ' HE21 ' A' ' 32' ' ' GLN . 69.7 t80 -63.23 -40.69 98.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.972 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.67 -46.08 55.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.1 111.093 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.71 -44.93 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 71.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.21 -24.15 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -7.23 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.67 23.21 62.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.468 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.44 128.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 74.42 111.112 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.34 142.5 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.86 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.78 -135.69 5.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 72.42 112.494 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -118.26 147.78 43.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 71.32 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -118.74 137.17 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.916 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.61 144.17 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.43 113.29 11.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -108.02 99.38 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 62.54 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -64.84 -14.28 58.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.842 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.52 -45.07 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.14 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.9 p -110.98 7.38 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.163 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.89 31.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 70.34 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.8 t -115.28 138.92 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 74.24 111.173 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -105.22 165.82 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.856 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.87 154.05 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 64.45 111.138 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.1 120.41 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 55.32 111.117 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.6 m -122.87 141.13 52.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.187 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.908 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.717 0.294 . . . . 74.54 110.829 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 135.25 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.93 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -128.1 160.36 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -115.91 135.36 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.897 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.23 133.98 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.922 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.63 124.05 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.35 111.089 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.76 126.85 43.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.11 68.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.88 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.07 170.69 55.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 44.2 112.52 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -42.61 20.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 75.51 110.887 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -118.12 -1.06 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.53 111.12 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 142.11 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -140.38 149.29 42.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.932 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.41 177.5 47.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 71.04 112.482 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -142.81 156.25 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.88 163.52 34.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.11 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.86 159.43 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.159 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.4 m -145.25 142.35 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.161 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.6 122.71 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.862 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.24 150.55 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.102 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 12.0 p -84.25 -22.88 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.131 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.47 149.86 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.883 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.94 -38.19 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.35 111.124 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.16 -35.93 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 71.24 111.092 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -76.94 -34.77 57.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.149 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.76 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 71.1 111.036 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.7 -36.73 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.3 -37.02 79.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 64.45 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 t -56.92 -51.17 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.108 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -39.13 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -46.0 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.897 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.538 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -71.57 -46.83 58.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.934 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.538 ' N ' HE21 ' A' ' 32' ' ' GLN . 18.0 t80 -56.82 -40.19 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.917 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.17 -45.86 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.072 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.48 -46.32 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.884 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.66 -31.48 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.03 -7.09 59.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.845 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.7 22.99 57.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 63.33 112.469 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 125.35 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 71.33 111.119 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -124.02 142.47 51.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.48 -156.21 26.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 71.52 112.513 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -106.26 132.68 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 75.31 110.883 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -106.39 163.15 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.927 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -142.91 155.72 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.126 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -139.18 113.45 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.94 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.36 97.51 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.862 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.9 -13.42 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.838 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.52 59.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.0 p -112.02 2.33 16.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 73.11 111.11 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 47.73 37.33 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -113.39 139.31 49.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.122 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -117.29 153.62 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.896 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.55 111.116 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -137.06 118.28 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.095 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 p -104.41 129.36 52.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 52.11 111.101 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 73.55 110.836 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.71 0.291 . . . . 73.42 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 147.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 65.52 110.941 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.02 142.76 42.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.923 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -116.43 129.5 56.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.15 131.91 44.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.901 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -117.44 112.06 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 71.25 111.182 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD22 HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -99.09 123.64 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.883 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.74 68.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.47 162.9 51.28 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.735 . . . . 74.02 112.528 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -41.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 74.14 110.93 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -117.21 5.71 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 75.32 111.158 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.13 138.31 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.71 150.03 41.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.716 -0.754 . . . . 65.04 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.66 140.3 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 65.44 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.24 160.04 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.52 111.172 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -144.07 149.13 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -144.72 144.75 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.119 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -104.95 123.02 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.05 154.77 48.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.5 -18.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.103 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.16 150.05 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.49 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.076 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.94 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 72.41 111.121 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.0 m -63.92 -42.61 97.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.169 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.6 -45.36 75.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 54.14 111.108 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -37.41 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -61.16 -38.75 87.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.89 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.47 -47.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 53.12 111.142 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.12 -52.51 63.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.868 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -39.71 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.449 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.62 -47.19 82.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.898 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.449 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.2 t80 -70.7 -28.36 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.54 -48.06 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.43 111.131 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.22 -34.67 78.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.919 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.12 -21.2 58.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.878 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -7.62 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.861 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.66 23.81 59.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 62.34 112.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.28 134.15 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 74.3 111.12 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -126.73 142.32 51.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.45 -135.43 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 72.44 112.484 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 147.77 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 74.21 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -112.07 137.11 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.911 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.05 149.14 37.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.122 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -133.45 113.36 12.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.93 99.36 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 62.34 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -64.86 -14.11 58.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.887 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.53 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.21 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.6 p -111.3 6.31 20.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.154 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 49.35 42.11 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.905 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -126.08 139.04 53.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.01 111.131 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.12 158.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 p -146.18 154.83 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.158 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG12 HD22 ' A' ' 7' ' ' LEU . 5.8 p -131.89 119.27 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.02 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -114.12 141.1 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 75.32 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.864 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.293 . . . . 73.51 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 146.4 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.894 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -109.27 160.04 16.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 73.22 110.93 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -123.63 135.56 54.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.912 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -97.47 124.78 41.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 70.12 110.964 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.81 111.88 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.102 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.69 135.56 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.953 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.48 80.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.859 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.99 152.27 34.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 74.45 112.502 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -82.18 -20.7 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 75.32 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 t -108.86 -19.94 13.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 75.03 111.175 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.64 143.88 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.927 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -109.93 148.57 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.924 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.72 178.23 47.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 73.14 112.497 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -150.17 150.79 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 75.23 110.887 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.74 48.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.107 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -122.19 147.07 46.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -145.11 145.93 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.13 111.152 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.54 122.31 44.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.911 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 153.22 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 63.2 111.095 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.59 -19.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.133 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.2 150.16 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.857 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.64 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.077 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.68 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.01 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.03 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 74.41 111.176 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.122 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.53 -42.55 92.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.899 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -66.32 -38.8 88.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 74.51 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.85 -38.71 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.099 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.42 -52.51 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -43.03 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.0 -46.85 79.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.931 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' N ' HE21 ' A' ' 32' ' ' GLN . 28.5 t80 -64.1 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.934 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.17 66.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 41.31 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.37 -45.92 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -64.68 -26.48 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.864 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.85 -7.28 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.94 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.89 74.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 64.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.77 119.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 72.31 111.09 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -127.22 145.38 50.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 61.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.57 -133.19 4.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 71.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -115.1 140.77 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 75.22 110.868 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -115.34 137.28 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.874 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 145.63 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 75.22 111.157 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.34 113.33 12.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -105.3 99.01 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.04 -14.18 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.35 -45.19 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.2 111.125 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.0 p -110.81 6.99 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.33 111.153 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 49.55 38.81 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.886 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 t -122.49 138.83 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.132 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -105.33 162.82 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.15 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 m -146.0 150.85 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 71.22 111.153 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.18 120.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.108 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.1 m -110.22 130.31 55.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 71.24 111.112 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.876 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.705 0.288 . . . . 75.54 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.14 149.05 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -109.38 161.32 15.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.915 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -120.75 137.94 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.21 123.88 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.95 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.03 118.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.22 111.132 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.5 126.52 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.91 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.92 68.93 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.888 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.34 168.26 50.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -41.79 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.52 110.928 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.26 -0.12 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.14 111.138 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.25 139.23 40.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.908 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -141.65 150.19 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.906 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.92 177.38 48.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -146.29 139.51 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 73.43 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.43 147.14 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.23 111.143 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -123.9 146.81 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.14 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -145.52 144.94 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 72.44 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.33 136.41 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.24 155.3 50.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.088 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.77 -21.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.89 149.63 47.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.858 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.53 -39.77 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.84 98.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.116 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -77.44 -32.52 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.151 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.4 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 71.41 111.088 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -64.33 -36.33 83.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -60.31 -39.63 87.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.0 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.138 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -65.1 -52.77 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -40.4 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.523 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -64.27 -47.05 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.891 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.523 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.6 m-85 -61.7 -39.18 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.92 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.64 -46.21 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.24 111.143 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -61.38 -46.33 90.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.06 -17.23 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.65 -8.05 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 24.33 72.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.23 112.502 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.54 118.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.53 111.131 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -128.64 141.93 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.5 -131.66 3.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 74.43 112.459 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -119.33 148.24 43.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.346 . . . . 72.43 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -110.82 137.16 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.972 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 149.84 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.13 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -133.32 113.81 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -104.11 98.9 8.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.849 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.15 -14.32 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.72 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.06 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.7 p -111.43 8.49 21.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 72.42 111.139 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 33.01 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.86 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.6 t -121.06 139.14 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.185 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -111.2 161.6 15.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.89 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t -147.09 155.03 41.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.119 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -132.0 118.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.062 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -98.45 141.26 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.12 111.144 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.892 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptm . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.77 0.319 . . . . 64.45 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.05 148.59 32.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -123.43 160.83 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 73.3 110.892 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 136.53 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.91 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.42 133.21 42.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.945 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.21 126.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.117 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -104.27 111.54 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 73.15 110.902 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.61 68.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.55 167.03 46.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 62.01 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -81.61 -42.21 20.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 73.42 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.4 t -117.8 0.26 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.81 141.95 40.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.898 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -141.79 149.73 40.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.75 177.44 47.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 74.42 112.494 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -143.18 144.1 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 72.35 110.917 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 155.7 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 72.01 111.116 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -139.71 146.59 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.01 111.096 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.76 146.68 31.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.86 122.29 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.873 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.56 159.45 42.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.073 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.48 -16.49 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 71.32 111.1 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.33 148.75 51.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 71.32 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.06 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.126 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.62 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.145 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -77.12 -32.81 56.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.126 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.099 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -62.69 -49.19 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.945 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -58.92 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.922 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -56.75 -53.64 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.168 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -75.02 -31.61 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 73.1 110.889 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -42.42 97.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.537 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.48 -46.79 37.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.93 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.537 ' N ' HE21 ' A' ' 32' ' ' GLN . 3.2 t80 -60.87 -42.03 97.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.888 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.29 -46.21 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.07 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.26 -35.3 79.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.94 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.06 -30.24 66.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.13 -7.2 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.885 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.35 61.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 64.14 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.34 134.48 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 71.21 111.102 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.21 142.16 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 51.41 110.863 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.96 -138.85 5.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 75.32 112.465 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.38 147.79 46.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 74.34 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -118.02 139.47 51.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -113.4 155.47 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 64.41 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -145.65 113.45 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.06 98.59 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 73.35 110.863 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -13.51 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.69 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.15 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.4 p -111.39 2.71 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.151 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 49.05 47.46 21.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -125.84 139.09 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 65.02 111.148 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -115.5 155.99 26.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 72.4 110.861 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -145.97 154.64 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.154 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -139.52 118.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.119 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.6 m -120.83 133.34 55.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.924 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.72 0.295 . . . . 70.23 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 148.17 25.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.918 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -119.96 160.56 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.892 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -115.14 135.54 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.31 129.77 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.46 125.14 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.17 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.01 115.05 27.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.908 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.93 66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.913 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.7 165.16 43.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 60.32 112.479 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -81.87 -42.16 19.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 73.33 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -117.59 15.5 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.99 141.83 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -141.53 149.94 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.88 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.68 178.42 47.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 34.12 112.518 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -148.8 133.15 17.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 65.44 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.88 156.37 49.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 74.25 111.123 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.15 155.02 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.158 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 m -145.45 143.58 30.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.138 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.33 129.17 56.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.01 156.42 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 63.41 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.52 -21.22 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.118 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.3 148.79 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.862 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.3 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.068 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.94 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 64.11 111.126 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.2 m -76.94 -39.23 51.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 73.14 111.156 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.06 89.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.114 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.44 -36.89 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -60.26 -35.68 76.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.9 t -55.99 -51.55 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.145 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.25 -36.7 66.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.856 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.34 -53.81 53.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.552 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.98 -46.29 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.938 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.552 ' N ' HE21 ' A' ' 32' ' ' GLN . 19.5 t80 -58.41 -44.55 89.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.935 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.43 -46.3 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.34 111.051 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.11 -46.53 88.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.88 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.26 -23.89 62.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -4.23 56.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.1 23.46 74.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 61.11 112.459 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.24 138.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 74.4 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.42 141.81 48.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.879 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.54 -156.49 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 73.21 112.463 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.42 138.81 52.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 75.31 110.886 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -102.97 137.04 41.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.924 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.89 143.85 45.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 64.13 111.157 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -133.26 113.26 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 72.11 110.956 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.4 99.11 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.838 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -13.61 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.873 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.11 62.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.101 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.9 p -111.79 3.11 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.179 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 49.07 47.71 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.907 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 139.03 53.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 72.24 111.135 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -111.84 150.21 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.52 110.916 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -146.42 154.97 42.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 62.14 111.102 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.59 120.34 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.115 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -98.83 123.94 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.44 111.16 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.916 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.723 0.297 . . . . 75.24 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.65 137.87 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.886 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -109.38 159.99 16.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.938 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -125.72 135.46 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.889 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.16 133.06 45.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.44 110.931 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.42 128.59 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.144 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.28 111.47 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.916 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.28 70.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.881 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.71 168.9 46.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.449 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -42.07 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 64.21 110.887 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.46 -1.39 11.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.41 111.119 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.21 142.02 42.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.892 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -140.85 149.79 42.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.86 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.4 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 53.44 112.485 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.34 157.57 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.387 . . . . 72.43 110.88 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.53 162.81 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.34 111.148 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 p -139.5 147.39 41.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.15 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -144.7 141.88 29.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.26 122.99 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.35 110.857 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 147.02 32.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.089 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.75 -24.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 72.13 111.147 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -117.78 150.14 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 52.15 110.897 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.29 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 111.054 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.28 96.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.149 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -76.85 -35.65 57.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.172 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.44 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.083 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.2 tt0 -67.24 -37.37 83.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.921 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -66.49 -32.03 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.99 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.41 111.086 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -73.89 -29.96 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.37 72.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.877 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.36 -46.89 37.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.863 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.545 ' N ' HE21 ' A' ' 32' ' ' GLN . 73.5 t80 -56.39 -43.41 79.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.919 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.57 -46.08 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 70.43 111.113 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.68 -45.43 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.66 -26.86 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -7.18 57.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.25 63.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 74.51 112.44 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.47 128.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 73.15 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.41 142.47 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.866 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.6 -130.87 3.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 62.15 112.501 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -128.35 147.88 50.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 74.33 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -108.77 137.1 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.971 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.32 149.21 36.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 73.15 111.146 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -133.28 113.51 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.06 99.43 9.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 71.42 110.849 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.86 -14.14 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.838 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -45.92 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 p -111.73 7.38 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.02 111.161 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 49.2 40.57 18.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 t -126.07 139.07 53.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.158 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.59 157.95 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.871 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -146.35 154.99 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.45 111.158 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -128.39 120.41 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 71.11 111.122 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -100.36 141.17 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.53 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.88 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.706 0.288 . . . . 75.24 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -88.35 147.59 24.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.24 110.87 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -120.62 160.26 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 70.33 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -116.18 135.45 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tp -115.72 133.12 56.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.892 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -113.95 126.84 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.33 111.11 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.18 118.67 35.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.884 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.41 68.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.42 110.905 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 166.82 51.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -78.59 -42.06 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 72.34 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -117.42 -0.79 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 65.44 111.141 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.35 142.08 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 72.34 110.903 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.53 149.92 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.837 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.39 47.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 72.13 112.497 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -147.19 141.23 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.933 0.397 . . . . 74.42 110.897 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.35 162.77 34.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.4 p -141.12 151.26 43.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.176 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -144.65 144.72 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 75.21 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -105.17 133.63 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.882 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.35 148.0 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.119 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.39 -24.32 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.21 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -124.75 149.94 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.96 -38.53 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.31 111.082 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 54.2 111.087 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.8 m -76.89 -35.44 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.25 111.137 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.25 96.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.4 111.126 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.28 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.42 110.908 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -66.59 -31.62 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.02 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -56.46 -52.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 75.35 111.118 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.7 p90 -73.56 -30.09 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.894 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -66.1 -52.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.896 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.543 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.57 -46.99 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.937 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.543 ' N ' HE21 ' A' ' 32' ' ' GLN . 45.0 t80 -55.14 -40.82 71.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.93 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.65 -46.04 55.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 71.21 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.32 -45.66 90.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.0 -33.48 68.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.903 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -78.73 -7.13 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.11 23.03 50.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.79 119.2 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 75.21 111.112 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -127.53 142.04 51.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.04 -140.47 8.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 75.43 112.447 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -111.12 138.49 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 74.12 110.88 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -105.88 137.24 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 74.3 110.935 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.55 143.99 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 60.15 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -134.41 113.27 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 65.55 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -111.49 98.88 7.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -13.85 59.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.852 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.55 -45.93 60.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.4 p -111.72 6.1 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.097 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 48.94 42.68 20.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 t -126.0 138.91 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 73.02 111.127 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -113.57 156.57 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.2 p -145.88 155.0 42.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 74.02 111.154 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.56 134.36 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.161 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.2 p -124.08 119.68 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.146 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 73.24 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.735 0.302 . . . . 62.33 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.66 149.29 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.966 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -109.03 162.28 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.953 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -114.55 137.23 52.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.898 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -96.86 133.69 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 71.31 110.902 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.99 118.92 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 72.55 111.113 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.92 129.73 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.896 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.93 68.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.872 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.91 37.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 75.1 112.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -81.77 -42.13 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 71.41 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -117.61 5.1 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.22 111.158 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.46 139.05 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.917 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -141.83 150.94 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.906 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.94 175.63 46.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 65.35 112.523 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -150.1 139.02 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 51.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.49 159.49 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.05 111.151 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 p -131.55 146.68 52.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 61.33 111.141 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -145.74 145.84 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.153 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.05 135.0 46.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.89 162.62 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.097 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.4 -16.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -135.1 149.3 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.873 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.75 -40.63 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.15 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.01 98.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 75.53 111.065 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -77.48 -32.39 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.147 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.78 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.115 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.13 -37.01 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -60.75 -35.85 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -56.23 -50.29 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 75.44 111.142 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -68.58 -38.53 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -49.04 78.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.894 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.564 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -75.3 -47.01 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.564 ' N ' HE21 ' A' ' 32' ' ' GLN . 65.5 t80 -56.77 -45.27 82.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.878 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.54 -47.23 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.11 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -60.81 -32.54 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.52 -20.93 34.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -100.71 -3.63 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.82 24.5 72.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.21 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.6 138.23 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 73.53 111.156 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -128.57 141.22 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.33 10.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 71.32 112.474 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.21 148.21 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 72.42 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -112.81 151.65 30.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.05 144.05 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.164 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.19 114.29 13.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.908 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.61 99.56 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 62.14 110.814 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.21 -13.15 57.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.62 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.34 111.088 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.7 -4.49 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.125 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 55.58 22.7 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.903 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 t -90.38 139.5 30.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 55.33 111.161 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.56 142.31 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.87 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -145.55 155.09 42.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 74.12 111.132 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -141.0 118.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.24 111.124 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -102.4 141.13 35.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.167 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.844 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.761 0.315 . . . . 73.45 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.54 145.38 25.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.934 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -109.29 160.2 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.935 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 135.55 53.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.96 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.71 123.99 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.878 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.51 117.56 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.44 111.076 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 65.51 110.881 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.07 67.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 63.13 110.852 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 167.37 48.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 63.45 112.492 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -81.97 -41.94 20.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.15 110.927 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -117.17 2.88 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 75.04 111.151 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.63 140.59 31.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.92 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.21 149.72 51.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.878 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.73 177.87 48.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 54.24 112.508 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -148.87 143.45 26.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 75.03 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.13 152.11 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 60.21 111.141 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -141.51 146.84 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.123 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -145.43 145.67 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.122 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.34 125.1 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.15 158.33 32.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 51.31 111.09 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.83 -15.25 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.172 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.39 150.07 48.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.51 73.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.46 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.23 111.085 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -76.9 -31.88 57.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.25 111.134 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.25 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 63.44 111.066 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -65.62 -48.68 71.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.878 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -31.1 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 70.55 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -56.7 -53.37 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.43 111.1 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.489 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.9 p90 -73.82 -29.96 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.839 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -49.24 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.556 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.46 -46.77 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.906 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.556 ' N ' HE21 ' A' ' 32' ' ' GLN . 48.3 t80 -55.88 -44.17 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.947 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.57 -46.06 56.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.073 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -58.33 -45.29 88.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.6 -27.46 64.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.873 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.46 -4.32 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 60.32 110.933 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.75 23.63 72.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 70.53 112.491 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.26 127.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.23 111.126 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 141.9 51.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.85 -135.62 5.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 70.41 112.489 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.64 147.91 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 75.52 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -106.88 163.29 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 65.21 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.82 144.18 39.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 74.52 111.15 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.45 113.21 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.923 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.39 98.97 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.828 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.13 -14.33 60.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.84 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.77 -45.87 60.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 p -111.72 7.85 20.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.03 111.12 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.64 33.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.892 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 t -119.17 138.9 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.33 111.163 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -105.41 165.72 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -146.33 154.96 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.144 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -146.11 118.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.12 111.156 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.5 m -110.42 130.97 55.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 72.32 111.154 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.704 0.288 . . . . 73.11 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.39 148.09 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.926 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.71 162.44 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.941 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -119.55 109.74 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 74.32 110.927 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -99.18 133.36 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.939 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.98 132.58 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.111 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.8 mt -102.13 124.64 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.91 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.69 69.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.896 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.77 165.49 44.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 52.45 112.488 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.82 -42.5 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.12 110.925 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -117.66 13.41 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 75.42 111.1 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.22 144.21 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.886 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -141.11 151.36 43.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.892 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.96 177.42 48.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 75.41 112.532 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.6 133.85 38.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 74.44 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 134.28 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.15 111.143 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 p -141.45 147.32 37.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.138 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 t -144.79 147.59 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.14 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 121.22 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.907 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.68 145.31 48.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.114 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 t -88.63 -28.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.45 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.33 149.39 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 70.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.069 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 70.2 111.113 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.9 m -76.59 -32.71 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 72.34 111.124 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.71 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 65.11 111.117 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -44.69 74.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.883 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -66.6 -38.06 86.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.43 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -64.55 -36.77 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 54.21 111.137 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -64.43 -51.29 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.824 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -35.69 73.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.863 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.506 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.61 -47.57 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.914 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.3 t80 -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.95 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.1 -47.04 47.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 72.34 111.082 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.18 -33.34 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.53 -21.79 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.33 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.53 -7.39 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.87 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.29 24.65 60.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 65.41 112.452 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -64.96 125.5 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 73.3 111.102 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -128.98 142.0 51.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.842 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.45 -140.15 8.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 65.33 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -103.18 148.34 25.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 71.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -115.17 137.25 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.91 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 144.02 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.22 111.121 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -135.95 113.46 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.928 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.8 98.43 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.7 -13.63 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.903 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.94 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.11 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.9 p -111.55 3.68 18.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 74.54 111.119 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 48.94 46.83 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.865 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.8 t -125.78 138.74 53.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.182 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.23 154.99 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.911 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -146.11 154.68 42.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 63.52 111.143 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.8 p -138.77 130.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.128 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -110.96 120.94 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.135 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.9 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.708 0.29 . . . . 74.33 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.81 137.4 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.906 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -128.0 162.54 26.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.941 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -114.83 135.99 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.59 133.4 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.938 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.41 128.29 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.135 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.39 118.63 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.914 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 66.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.0 165.28 50.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.8 -41.95 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 63.02 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -117.16 13.19 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.3 111.157 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.99 141.99 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -140.2 149.72 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.75 177.48 48.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 71.34 112.475 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -150.79 132.97 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 72.25 110.851 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.93 150.82 49.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 71.22 111.173 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.8 p -126.81 147.25 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.04 111.198 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -141.63 143.29 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 73.15 111.133 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -104.73 121.93 44.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.79 147.98 27.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.06 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.6 -23.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 72.53 111.116 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 149.44 50.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -24.85 61.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 61.53 111.05 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.36 83.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 72.24 111.058 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.0 m -70.51 -42.04 71.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 74.55 111.166 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.11 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.052 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.39 -51.91 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.04 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -37.82 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.93 -48.81 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.101 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -71.78 -41.79 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.837 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -42.9 72.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.546 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.34 -46.98 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 71.21 110.942 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.1 t80 -57.63 -42.81 84.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.45 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.11 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.9 -45.25 82.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.895 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.96 -33.63 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.925 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.45 -1.17 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.92 22.9 67.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.505 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.0 119.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 74.04 111.161 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.26 149.94 49.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 75.32 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.13 -154.06 25.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 54.02 112.46 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -99.93 129.63 46.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 73.43 110.904 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -102.45 136.7 41.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.93 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.02 144.07 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 74.12 111.152 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.67 113.05 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 74.4 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -121.53 99.53 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 60.44 110.914 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -65.35 -12.69 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.33 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 62.3 111.089 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -112.17 0.18 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 49.99 49.4 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 73.2 110.92 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -121.14 139.2 53.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.12 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -119.3 142.66 47.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.918 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -147.6 154.79 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.51 111.177 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.46 134.64 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.115 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -124.13 120.2 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 74.14 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.732 0.301 . . . . 64.13 110.875 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.91 147.93 34.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.943 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -109.21 155.17 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -116.29 135.59 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 61.33 110.922 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.03 133.3 53.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.935 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -109.45 120.62 61.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 73.12 111.138 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.63 117.36 31.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.946 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.1 65.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 53.32 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 146.59 17.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.55 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -82.73 -19.63 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 72.33 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.5 p -99.42 -20.06 16.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.135 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.44 143.54 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 70.42 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 148.42 52.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.17 179.16 48.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.483 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.83 133.02 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.52 110.911 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.2 51.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.127 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -146.92 147.08 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.17 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -144.8 145.16 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.22 111.17 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.85 122.84 46.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.845 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.48 154.47 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.03 111.129 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 t -86.92 -19.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 54.42 111.111 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.03 149.33 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.871 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.14 66.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.19 96.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.068 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.0 m -76.74 -40.53 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.43 111.135 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.22 -38.67 82.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.33 111.108 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 tt0 -61.02 -39.82 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 70.43 110.872 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -66.63 -32.42 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -55.9 -52.84 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -73.48 -30.12 62.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -45.62 81.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.918 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.13 -45.04 51.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.914 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.526 ' N ' HE21 ' A' ' 32' ' ' GLN . 6.1 t80 -60.8 -41.53 95.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.68 -46.29 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.13 111.03 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -62.41 -43.53 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.92 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.13 -24.81 63.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.854 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.01 -7.0 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.907 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.9 23.41 66.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.521 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.34 130.87 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 74.55 111.118 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -127.84 137.62 52.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.53 -132.98 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 72.04 112.519 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -128.13 148.24 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 74.3 110.913 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -107.74 137.22 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.83 150.86 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 65.1 111.138 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.35 113.32 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.921 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -102.02 99.14 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.21 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.93 -14.06 58.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 62.33 110.868 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.32 -45.68 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 60.24 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.7 p -111.42 6.36 20.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 60.51 111.148 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 49.3 42.13 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.919 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 t -125.91 139.05 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.164 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -105.17 155.68 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.6 t -146.31 155.02 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.117 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.72 118.01 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 m -111.01 136.33 50.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.53 111.149 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 64.4 110.883 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.701 0.286 . . . . 74.1 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.0 147.99 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.907 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.69 158.92 22.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 63.03 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.8 136.68 53.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 71.25 110.886 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.06 132.95 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.922 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.11 115.81 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 72.24 111.128 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.05 111.46 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.914 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.94 68.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.928 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 149.57 23.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 75.24 112.499 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -81.45 -22.61 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 74.24 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 t -107.88 -19.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.131 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.97 143.82 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.927 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -128.6 149.95 50.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.933 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.88 177.21 47.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 72.24 112.48 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 157.81 45.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 71.43 110.88 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.06 163.46 32.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.092 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.56 147.27 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.34 111.142 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.9 m -144.85 144.64 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.141 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.04 122.89 46.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.65 153.66 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.129 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.61 -17.05 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.16 157.61 44.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.95 61.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.21 111.052 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.94 90.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.155 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.4 m -76.51 -36.3 57.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.136 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.2 75.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 73.52 111.126 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.72 -50.74 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.57 -43.41 97.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.85 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.98 -47.07 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 71.32 111.156 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.03 -48.75 78.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -33.75 76.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.438 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.78 -47.27 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.934 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.1 t80 -71.05 -29.7 65.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.959 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.88 -47.42 46.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 73.15 111.107 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -34.24 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 75.24 110.83 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.92 -21.68 58.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.9 -7.52 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.2 24.09 59.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 75.34 112.514 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -65.13 130.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 74.12 111.149 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -127.7 146.83 50.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 71.32 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.19 -133.49 4.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.488 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.73 147.95 45.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 71.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -118.08 136.95 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.59 143.98 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 65.31 111.162 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -136.88 113.5 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -101.33 99.27 9.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 72.45 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.14 -13.09 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 65.2 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.49 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 55.4 111.106 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -112.09 5.83 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.154 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 49.13 46.64 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.55 139.49 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 75.43 111.162 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -105.99 155.89 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -145.96 155.2 42.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.5 111.166 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.16 118.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.171 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -117.41 140.75 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.11 111.13 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 75.11 110.896 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 74.21 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.22 144.89 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.34 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -109.14 162.81 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -113.23 136.57 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.946 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.39 133.49 41.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.954 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -123.32 111.52 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.14 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -100.14 112.28 24.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.99 66.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.94 162.63 54.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 52.23 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.1 -42.86 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 75.45 110.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -117.82 14.86 14.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.43 111.184 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.2 142.36 17.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 75.21 110.917 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -136.45 149.74 48.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.91 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.88 178.01 48.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 73.03 112.468 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.64 143.19 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 60.13 110.863 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -137.06 143.9 42.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 71.41 111.114 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -127.58 145.14 50.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.147 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -147.1 146.17 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.161 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -103.59 121.79 43.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.63 150.46 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 111.09 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.0 -22.29 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 64.42 111.138 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.58 149.76 52.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.857 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.36 -38.38 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 75.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.36 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.069 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.5 m -76.88 -33.23 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.41 111.171 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.071 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tt0 -66.58 -44.86 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.885 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.27 -53.31 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.118 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 2.0 p90 -73.93 -30.01 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.96 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.903 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.542 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.29 -46.48 40.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.902 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.542 ' N ' HE21 ' A' ' 32' ' ' GLN . 52.5 t80 -55.36 -41.85 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.938 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.49 -45.64 58.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 63.04 111.086 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.52 -46.39 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.866 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.78 -29.05 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 73.41 110.859 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.57 -3.27 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.856 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.01 61.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 71.23 112.502 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.62 119.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 70.41 111.133 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.29 141.79 51.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.55 110.855 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.87 -142.92 9.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 72.32 112.478 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -114.36 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 74.03 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.8 162.84 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.957 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -146.52 155.47 42.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.196 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -137.28 113.15 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 70.12 110.927 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.31 98.17 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.857 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.01 -13.95 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.86 -46.84 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.096 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.3 p -112.18 6.82 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.4 111.108 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.55 34.63 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 65.34 110.923 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -118.27 139.28 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.134 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -109.36 160.44 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -146.21 147.56 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.1 111.168 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -133.91 118.2 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 75.15 111.124 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -97.62 114.22 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 75.2 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.903 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.808 0.337 . . . . 74.2 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.55 154.82 24.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.939 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -116.47 135.29 53.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.884 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -101.9 133.1 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.81 119.64 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 63.2 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 4.4 mt -98.31 123.8 42.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.41 68.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.71 168.5 49.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 74.22 112.486 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -41.98 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 65.44 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.17 -1.24 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.54 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.31 139.23 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -141.64 149.93 41.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.933 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.97 177.27 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 54.01 112.455 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.1 133.57 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 74.33 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.44 155.55 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 54.42 111.132 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' CG ' ' A' ' 4' ' ' LYS . 20.1 p -139.58 153.58 47.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.169 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.718 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.5 t -144.57 144.77 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 62.53 111.17 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.07 123.08 47.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -140.6 148.8 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.089 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.57 -23.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 72.23 111.119 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.2 150.02 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.884 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -35.16 69.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 63.45 111.124 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.89 83.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 52.52 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m -76.05 -44.64 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.123 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.8 -45.29 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.091 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -67.34 -37.24 82.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.44 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -64.58 -42.11 95.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 62.04 110.935 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 25' ' ' THR . 93.3 t -63.44 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.162 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CZ ' HG22 ' A' ' 18' ' ' THR . 12.2 m-85 -67.84 -52.48 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.896 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 43.15 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.69 -46.86 62.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 55.45 110.851 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.81 -38.96 90.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.962 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.42 -45.96 57.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 44.34 111.159 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 43.43 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.97 -25.62 63.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.841 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.79 -7.28 58.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 53.12 110.881 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 23.05 63.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.31 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.54 130.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 73.12 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.17 142.67 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.839 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.25 -136.29 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -120.15 147.7 44.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.335 . . . . 73.13 110.898 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -119.85 137.2 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.585 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.17 144.95 43.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 62.22 111.157 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -133.29 113.29 12.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 70.32 110.908 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -108.1 99.11 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.33 110.889 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.11 -14.0 59.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 60.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.35 63.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.5 ' OG1' HG22 ' A' ' 51' ' ' THR . 27.2 p -111.13 5.68 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.127 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 49.47 42.88 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.9 t -125.3 138.88 54.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.17 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.21 155.57 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 70.22 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.585 HG22 ' HB ' ' A' ' 44' ' ' THR . 13.0 t -146.12 154.73 42.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 63.21 111.147 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.2 p -134.17 121.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 25.23 111.124 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.3 m -114.11 141.17 47.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.866 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.317 . . . . 72.43 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.7 159.2 19.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.896 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -124.4 135.42 53.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 42.25 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.65 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -98.0 130.35 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 51.24 110.922 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.8 mp -111.79 126.77 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.061 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.9 mt -103.01 119.92 39.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.909 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 69.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.9 164.85 45.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 64.23 112.44 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -41.71 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 74.24 110.865 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.12 15.35 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.133 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.79 140.16 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.1 150.03 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.926 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.35 47.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.689 -0.767 . . . . 72.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.68 156.44 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 75.42 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.32 162.68 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 61.54 111.163 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -142.16 147.58 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.31 111.138 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 15.3 t -144.62 144.68 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.152 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -106.53 122.98 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.6 146.0 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.25 111.127 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.65 -25.17 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.106 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.15 150.08 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 72.05 110.852 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.59 70.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.082 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.78 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.08 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.5 m -73.78 -41.92 61.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 53.23 111.147 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.11 -45.17 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 73.12 111.118 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.76 -39.39 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -65.58 -38.82 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -64.94 -36.59 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.139 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.65 ' CG ' HD23 ' A' ' 5' ' ' LEU . 17.8 m-85 -65.0 -52.5 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.42 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -36.53 80.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.89 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.75 -46.93 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.918 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -65.61 -37.97 88.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 72.02 110.93 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.37 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 34.33 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -58.55 -46.13 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 51.03 110.88 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.98 -26.24 65.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 61.51 110.838 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -7.13 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 55.41 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.92 22.9 70.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.514 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -66.14 119.43 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 63.44 111.118 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -127.15 143.78 51.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.33 110.86 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.69 -134.66 4.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 71.15 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.26 137.73 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 73.12 110.864 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 59.7 m95 -114.35 137.05 52.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 145.9 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 70.42 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -133.38 113.23 12.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.937 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.73 99.0 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -65.18 -14.01 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.877 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.62 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.088 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' HG22 ' A' ' 51' ' ' THR . 26.7 p -111.35 6.25 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.121 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.65 33.05 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.939 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.2 t -112.91 139.04 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.083 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.06 153.76 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -146.13 154.73 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.12 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.454 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.3 p -133.23 121.25 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.147 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -111.3 141.12 45.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 60.3 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.886 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.33 . . . . 72.14 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 5.6 p90 -128.01 158.5 37.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 17' ' ' THR . 6.4 pttt -116.35 135.64 53.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 61.41 110.88 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.88 133.49 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 55.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.68 122.01 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.21 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -98.13 117.38 32.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 34.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.3 68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.92 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.89 170.65 55.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 70.15 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -81.83 -42.2 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 71.52 110.877 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -117.53 2.44 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.121 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 141.67 31.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -141.71 149.91 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.848 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.36 47.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 45.25 112.513 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -148.72 150.03 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.396 . . . . 74.12 110.917 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.6 162.86 36.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.21 111.157 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.633 HG22 ' CB ' ' A' ' 4' ' ' LYS . 21.5 p -137.04 147.44 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.12 111.158 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -142.5 144.81 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.169 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -104.82 122.78 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.69 148.85 47.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 62.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.61 -23.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.086 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.29 149.94 49.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.898 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.99 80.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.51 111.117 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.8 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -77.09 -32.7 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.68 -46.04 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.13 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -67.66 -36.79 81.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.04 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.87 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 71.03 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 25' ' ' THR . 99.7 t -58.37 -49.78 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 61.14 111.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -72.19 -39.94 68.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -44.06 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -72.25 -47.03 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 62.35 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -57.23 -40.17 77.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.911 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.36 -42.52 65.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 62.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -63.58 -46.34 86.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 54.15 110.867 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.77 -29.96 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.902 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.66 -7.24 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.866 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.91 22.95 56.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 73.03 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 34' ' ' ALA . 86.9 t -65.95 119.34 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 73.15 111.113 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -127.08 144.54 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.64 -139.25 7.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 74.31 112.463 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.41 147.81 38.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 50.22 110.894 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.567 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 52.0 m95 -115.07 137.14 52.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 143.96 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 44.4 111.152 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -138.09 114.22 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -111.4 99.48 8.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.864 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.81 -13.98 57.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.896 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.35 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 71.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 51' ' ' THR . 38.6 p -111.31 5.58 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.43 111.132 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 49.37 44.42 23.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 ' OG1' ' A' ' 49' ' ' THR . 13.0 t -126.01 139.51 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.125 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.75 161.33 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -145.93 154.65 42.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.085 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -145.8 120.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.1 m -111.98 141.24 45.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 54.31 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.871 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 74.2 110.91 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -110.26 159.6 17.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.24 130.0 52.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.33 110.858 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.744 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -98.18 131.37 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.936 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.09 123.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.147 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.527 HD13 HG13 ' A' ' 54' ' ' VAL . 2.4 mm? -98.01 118.5 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.899 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 66.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.902 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.46 45.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.491 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -42.34 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 72.1 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -117.87 14.77 14.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -157.07 142.15 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -140.78 149.69 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 60.33 110.887 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.1 178.29 45.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.489 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 132.79 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 73.42 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.45 149.23 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.22 111.186 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -140.71 147.45 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.152 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.49 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.5 t -144.71 144.82 31.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.142 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.01 122.92 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.89 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.17 154.16 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.55 -18.64 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.109 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.26 150.05 37.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.882 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.76 62.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 71.53 111.062 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.04 96.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.1 111.102 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 m -73.46 -44.66 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.133 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.104 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.29 -40.47 64.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -66.08 -38.82 89.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.24 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG12 ' CD2' ' A' ' 33' ' ' TYR . 21.8 t -69.89 -39.71 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.113 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.744 ' CD2' HD12 ' A' ' 5' ' ' LEU . 21.9 m-85 -62.13 -52.47 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.884 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -40.23 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.98 -47.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 63.42 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 29' ' ' VAL . 1.3 m-85 -58.16 -42.0 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.935 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.43 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.36 -37.67 75.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.04 110.891 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.94 -23.99 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 -7.37 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 55.32 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 23.24 74.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 61.43 112.492 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -65.66 119.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 61.14 111.107 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.33 150.18 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 41.2 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.53 -125.54 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 51.43 112.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 75.41 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -122.12 137.2 54.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.932 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.22 144.18 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 44.3 111.13 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.57 113.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -106.84 99.34 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 73.4 110.88 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.65 -14.55 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.851 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.58 -44.75 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 61.22 111.075 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.605 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.0 p -110.96 7.57 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 60.34 111.107 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.96 31.71 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.927 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.605 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.95 138.9 50.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 62.31 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 165.78 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -144.45 154.73 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.16 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 HD13 ' A' ' 7' ' ' LEU . 6.0 p -146.07 121.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -116.23 141.24 48.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.159 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 65.54 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 54.23 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.29 156.62 19.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 55.15 110.916 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -123.65 135.49 53.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 70.33 110.913 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tt -103.32 133.15 48.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.1 110.921 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.1 mp -106.45 116.85 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.129 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.823 HD23 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -103.99 126.95 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.72 68.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.61 149.2 29.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 74.03 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -79.85 -22.27 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 72.15 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.793 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t -106.43 -19.3 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.162 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.793 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -156.9 143.76 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.24 110.9 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -127.44 149.99 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -179.99 177.33 47.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 34.12 112.517 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 154.28 46.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 75.15 110.908 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 p -141.89 161.62 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.15 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.51 147.31 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 71.21 111.136 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.681 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.8 t -144.79 145.2 31.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.119 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 122.82 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.98 156.07 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 61.01 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.59 -16.36 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.55 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 161.93 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.847 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.9 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.2 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.5 m -74.93 -36.2 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.3 111.158 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.28 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 64.15 111.068 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -50.82 69.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.15 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -60.78 -43.06 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.922 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' THR . 77.8 t -67.05 -39.94 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.124 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.0 m-85 -69.41 -44.38 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 72.02 110.907 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.34 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 72.43 110.902 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.88 -47.05 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 55.14 110.931 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -63.23 -40.69 98.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.972 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.67 -46.08 55.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.1 111.093 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.71 -44.93 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 71.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.21 -24.15 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -7.23 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.67 23.21 62.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.468 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.0 p -65.44 128.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 74.42 111.112 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.34 142.5 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.86 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.78 -135.69 5.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 72.42 112.494 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -118.26 147.78 43.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 71.32 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 40.8 m95 -118.74 137.17 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.61 144.17 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 43.11 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.43 113.29 11.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -108.02 99.38 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 62.54 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -64.84 -14.28 58.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.842 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.52 -45.07 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.602 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.9 p -110.98 7.38 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.163 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.89 31.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 70.34 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.602 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.28 138.92 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.173 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -105.22 165.82 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.856 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.87 154.05 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 42.44 111.138 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.823 HG11 HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.1 120.41 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 31.32 111.117 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.6 m -122.87 141.13 52.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.187 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 72.11 110.908 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.796 0.331 . . . . 64.15 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.633 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 12.5 p90 -128.1 160.36 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -115.91 135.36 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.897 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -98.23 133.98 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.922 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.63 124.05 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.35 111.089 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.76 126.85 43.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 52.03 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -123.11 68.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.88 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.07 170.69 55.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 14.02 112.52 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -42.61 20.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 74.22 110.887 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.558 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.3 t -118.12 -1.06 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.53 111.12 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.64 142.11 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 41.21 110.911 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -140.38 149.29 42.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 41.34 110.932 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.41 177.5 47.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 55.53 112.482 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -142.81 156.25 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.31 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.88 163.52 34.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.11 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.86 159.43 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.159 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.4 m -145.25 142.35 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.161 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.6 122.71 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.862 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.938 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -159.24 150.55 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.102 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -84.25 -22.88 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.131 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.47 149.86 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.883 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.94 -38.19 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.35 111.124 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.16 -35.93 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 51.2 111.092 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.9 m -76.94 -34.77 57.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.149 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.938 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -65.9 -45.76 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 55.44 111.036 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.7 -36.73 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.3 -37.02 79.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 25' ' ' THR . 34.3 t -56.92 -51.17 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -73.05 -39.13 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -46.0 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.897 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.57 -46.83 58.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.934 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -56.82 -40.19 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -71.17 -45.86 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.072 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.48 -46.32 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.884 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.66 -31.48 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.03 -7.09 59.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.21 110.845 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.7 22.99 57.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.11 112.469 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' OE2' ' A' ' 56' ' ' GLU . 58.5 t -65.76 125.35 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 71.33 111.119 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -124.02 142.47 51.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.48 -156.21 26.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 41.44 112.513 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -106.26 132.68 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 71.32 110.883 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 74.8 m95 -106.39 163.15 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -142.91 155.72 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.126 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -139.18 113.45 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.94 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.36 97.51 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.862 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.9 -13.42 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.838 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.52 59.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.472 ' OG1' HG22 ' A' ' 51' ' ' THR . 67.0 p -112.02 2.33 16.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 64.31 111.11 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 47.73 37.33 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.472 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.4 t -113.39 139.31 49.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.122 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD12 ' A' ' 5' ' ' LEU . 26.2 m-85 -117.29 153.62 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.14 111.116 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -137.06 118.28 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.095 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 8' ' ' ASN . 53.1 p -104.41 129.36 52.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 52.11 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.588 ' OE2' HG13 ' A' ' 39' ' ' VAL . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.836 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.829 0.347 . . . . 65.44 110.941 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -111.02 142.76 42.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.923 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -116.43 129.5 56.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -98.15 131.91 44.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.901 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.2 mp -117.44 112.06 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.182 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.771 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -99.09 123.64 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.883 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.74 68.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.891 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.47 162.9 51.28 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.735 . . . . 74.02 112.528 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -41.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 74.14 110.93 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -117.21 5.71 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 63.32 111.158 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.13 138.31 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.71 150.03 41.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.716 -0.754 . . . . 53.04 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.66 140.3 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 65.44 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.24 160.04 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.172 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -144.07 149.13 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.6 t -144.72 144.75 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.119 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -104.95 123.02 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.967 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.05 154.77 48.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.132 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.5 -18.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.103 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.16 150.05 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.882 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -71.88 -38.49 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.05 111.076 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.94 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 61.32 111.121 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.0 m -63.92 -42.61 97.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.169 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.967 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.6 -45.36 75.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 54.14 111.108 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -37.41 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -61.16 -38.75 87.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.89 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 25' ' ' THR . 99.9 t -59.47 -47.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 42.54 111.142 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 18' ' ' THR . 16.8 m-85 -62.12 -52.51 63.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.868 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -39.71 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.62 -47.19 82.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 70.52 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -70.7 -28.36 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.958 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -68.54 -48.06 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.31 111.131 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.22 -34.67 78.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.919 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.12 -21.2 58.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.878 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -7.62 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.861 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.66 23.81 59.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 62.34 112.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.3 p -65.28 134.15 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 74.3 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -126.73 142.32 51.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.45 -135.43 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 44.04 112.484 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 147.77 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 74.21 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.483 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 64.3 m95 -112.07 137.11 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.05 149.14 37.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.122 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -133.45 113.36 12.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.93 99.36 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 62.34 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -64.86 -14.11 58.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 65.24 110.887 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.53 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 51' ' ' THR . 42.6 p -111.3 6.31 20.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.154 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 49.35 42.11 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.566 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.0 t -126.08 139.04 53.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 62.54 111.131 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.12 158.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 6' ' ' ILE . 26.0 p -146.18 154.83 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.158 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.771 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.8 p -131.89 119.27 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 43.44 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' ASN . 96.7 m -114.12 141.1 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.51 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' CD ' HG23 ' A' ' 39' ' ' VAL . 15.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.864 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 73.12 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -109.27 160.04 16.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.93 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -123.63 135.56 54.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.912 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD21 ' HZ3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -97.47 124.78 41.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 43.11 110.964 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -101.81 111.88 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.102 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -100.69 135.56 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 32.44 110.953 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' THR . 2.7 t-20 -124.48 80.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.859 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.99 152.27 34.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.5 112.502 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -82.18 -20.7 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 75.32 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.741 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.1 t -108.86 -19.94 13.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 71.45 111.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.741 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -157.64 143.88 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.927 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -109.93 148.57 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.924 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.72 178.23 47.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.21 112.497 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.17 150.79 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 75.23 110.887 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.494 ' OG1' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.76 128.74 48.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.107 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -122.19 147.07 46.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.7 t -145.11 145.93 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.54 122.31 44.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.911 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 153.22 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 55.14 111.095 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.59 -19.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.133 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.2 150.16 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.857 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.64 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.14 111.077 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.68 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 65.43 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -68.35 -41.03 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.176 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.122 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.53 -42.55 92.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -66.32 -38.8 88.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.02 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -61.85 -38.71 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 18' ' ' THR . 25.7 m-85 -65.42 -52.51 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -43.03 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 70.23 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.0 -46.85 79.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.12 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -64.1 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.934 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.17 66.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 23.41 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.37 -45.92 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -64.68 -26.48 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.864 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -81.85 -7.28 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.94 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.89 74.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 64.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' ASN . 25.0 t -65.77 119.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 72.31 111.09 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -127.22 145.38 50.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 61.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.57 -133.19 4.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 71.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -115.1 140.77 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 62.23 110.868 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 41.8 m95 -115.34 137.28 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.874 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 145.63 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 75.22 111.157 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.34 113.33 12.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -105.3 99.01 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.04 -14.18 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.35 -45.19 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 33.11 111.125 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.58 ' OG1' HG22 ' A' ' 51' ' ' THR . 25.0 p -110.81 6.99 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.33 111.153 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 49.55 38.81 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.11 110.886 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.58 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.5 t -122.49 138.83 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.132 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 6' ' ' ILE . 7.3 m-85 -105.33 162.82 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.12 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 m -146.0 150.85 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.153 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.772 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.18 120.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 62.12 111.108 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 94.1 m -110.22 130.31 55.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.05 111.112 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.876 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.796 0.332 . . . . 64.41 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 18' ' ' THR . 5.0 p90 -109.38 161.32 15.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.915 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -120.75 137.94 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.598 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -96.21 123.88 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.95 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -106.03 118.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.132 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.5 126.52 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 54.51 110.91 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.92 68.93 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.888 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.34 168.26 50.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -41.79 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.02 110.928 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.528 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.26 -0.12 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.14 111.138 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.25 139.23 40.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.908 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -141.65 150.19 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.906 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.92 177.38 48.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -146.29 139.51 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 73.43 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.43 147.14 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.23 111.143 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -123.9 146.81 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.14 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.9 t -145.52 144.94 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 72.44 111.131 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.33 136.41 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.24 155.3 50.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.088 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.77 -21.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.89 149.63 47.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.858 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.53 -39.77 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 42.11 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.84 98.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.116 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -77.44 -32.52 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.151 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.4 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 65.41 111.088 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -64.33 -36.33 83.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 55.5 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -60.31 -39.63 87.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 33' ' ' TYR . 25.4 t -64.0 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.138 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' HD23 ' A' ' 5' ' ' LEU . 2.5 m-30 -65.1 -52.77 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 51.03 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -40.4 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.27 -47.05 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.891 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.497 ' HD2' HG12 ' A' ' 29' ' ' VAL . 2.6 m-85 -61.7 -39.18 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.92 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -72.64 -46.21 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.24 111.143 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -61.38 -46.33 90.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.06 -17.23 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.65 -8.05 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 24.33 72.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.23 112.502 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.571 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.6 t -64.54 118.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.53 111.131 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -128.64 141.93 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.5 -131.66 3.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 63.41 112.459 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -119.33 148.24 43.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.346 . . . . 63.52 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -110.82 137.16 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.972 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.466 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.87 149.84 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.13 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -133.32 113.81 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -104.11 98.9 8.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.41 110.849 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.15 -14.32 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.72 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.06 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 51' ' ' THR . 23.7 p -111.43 8.49 21.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 72.42 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 33.01 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.86 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.6 t -121.06 139.14 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.185 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -111.2 161.6 15.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.89 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.3 t -147.09 155.03 41.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.119 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HG11 ' A' ' 39' ' ' VAL . 5.9 p -132.0 118.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.062 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -98.45 141.26 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.144 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.892 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 75.53 110.947 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 8.6 p90 -123.43 160.83 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.36 136.53 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.91 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.42 133.21 42.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.945 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.772 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.0 mp -107.21 126.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 10.7 mt -104.27 111.54 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.902 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.61 68.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.55 167.03 46.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 60.14 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -81.61 -42.21 20.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 73.42 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.52 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.4 t -117.8 0.26 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 51.43 111.134 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.81 141.95 40.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.4 110.898 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -141.79 149.73 40.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.75 177.44 47.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 61.14 112.494 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -143.18 144.1 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 62.34 110.917 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 155.7 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 70.13 111.116 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 4' ' ' LYS . 6.1 p -139.71 146.59 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.096 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.496 HG22 ' CE2' ' A' ' 30' ' ' PHE . 9.9 t -145.76 146.68 31.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.86 122.29 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.873 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -142.56 159.45 42.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.073 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.48 -16.49 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.01 111.1 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.33 148.75 51.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.12 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.06 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.126 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.62 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.15 111.145 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 m -77.12 -32.81 56.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.745 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.44 111.099 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -62.69 -49.19 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.945 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -58.92 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 60.21 110.922 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 25' ' ' THR . 72.5 t -56.75 -53.64 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.168 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' HG22 ' A' ' 18' ' ' THR . 4.4 m-85 -75.02 -31.61 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.32 110.889 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -42.42 97.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.48 -46.79 37.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.93 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.87 -42.03 97.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.29 -46.21 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.07 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.26 -35.3 79.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.94 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.06 -30.24 66.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.13 -7.2 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.885 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.35 61.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 15.15 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.5 p -65.34 134.48 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 42.41 111.102 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.21 142.16 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 51.41 110.863 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.96 -138.85 5.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 60.11 112.465 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.38 147.79 46.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 61.41 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -118.02 139.47 51.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.53 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -113.4 155.47 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 60.31 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -145.65 113.45 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.06 98.59 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 73.35 110.863 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -13.51 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.69 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.4 p -111.39 2.71 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.151 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 49.05 47.46 21.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -125.84 139.09 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 65.02 111.148 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -115.5 155.99 26.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.861 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.772 HG23 ' HB ' ' A' ' 6' ' ' ILE . 1.8 m -145.97 154.64 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.154 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -139.52 118.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.119 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.6 m -120.83 133.34 55.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 70.01 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.796 0.331 . . . . 73.42 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.696 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 17.7 p90 -119.96 160.56 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 70.23 110.892 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -115.14 135.54 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HE2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -107.31 129.77 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.912 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.46 125.14 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.17 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.01 115.05 27.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.908 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -112.93 66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.913 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.7 165.16 43.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 54.11 112.479 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -81.87 -42.16 19.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 62.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -117.59 15.5 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.99 141.83 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 50.51 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -141.53 149.94 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.88 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.68 178.42 47.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 30.43 112.518 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -148.8 133.15 17.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 65.44 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.88 156.37 49.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.123 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.15 155.02 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 m -145.45 143.58 30.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.138 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.33 129.17 56.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.01 156.42 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 63.41 111.103 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.52 -21.22 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.118 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.3 148.79 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.862 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.3 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 45.51 111.068 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.94 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 35.52 111.126 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.2 m -76.94 -39.23 51.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 45.41 111.156 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.924 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.88 -46.06 89.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.114 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.44 -36.89 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -60.26 -35.68 76.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 25' ' ' THR . 35.9 t -55.99 -51.55 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.14 111.145 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.25 -36.7 66.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.856 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.34 -53.81 53.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.98 -46.29 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -58.41 -44.55 89.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.935 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.43 -46.3 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.34 111.051 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.11 -46.53 88.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.88 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.26 -23.89 62.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -4.23 56.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.1 23.46 74.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 61.11 112.459 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.6 p -65.24 138.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 74.31 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.42 141.81 48.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 61.24 110.879 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.54 -156.49 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 73.21 112.463 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.42 138.81 52.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 75.31 110.886 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -102.97 137.04 41.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.924 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.59 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.89 143.85 45.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 52.25 111.157 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -133.26 113.26 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.956 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.4 99.11 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.838 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -13.61 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.873 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.11 62.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.101 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 51' ' ' THR . 77.9 p -111.79 3.11 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.179 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 49.07 47.71 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.907 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.5 t -126.12 139.03 53.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 72.24 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 5' ' ' LEU . 9.9 m-85 -111.84 150.21 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.52 110.916 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.3 t -146.42 154.97 42.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 62.14 111.102 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -133.59 120.34 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.115 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 8' ' ' ASN . 76.6 p -98.83 123.94 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 64.24 111.16 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.916 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.354 . . . . 73.34 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -109.38 159.99 16.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.938 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -125.72 135.46 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.889 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -100.16 133.06 45.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.931 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.42 128.59 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.2 111.144 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.28 111.47 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.916 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -110.28 70.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.881 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.71 168.9 46.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 63.25 112.449 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -42.07 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 64.21 110.887 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.561 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.46 -1.39 11.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 73.01 111.119 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.561 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.6 OUTLIER -137.21 142.02 42.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.892 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -140.85 149.79 42.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.86 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.4 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 53.44 112.485 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.34 157.57 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.387 . . . . 62.34 110.88 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.53 162.81 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 51.15 111.148 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 p -139.5 147.39 41.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.15 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.507 ' OG1' HG11 ' A' ' 29' ' ' VAL . 4.4 t -144.7 141.88 29.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.103 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.26 122.99 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.35 110.857 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.13 147.02 32.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 54.13 111.089 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.75 -24.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 70.1 111.147 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -117.78 150.14 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 52.15 110.897 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.29 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 111.054 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.28 96.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.149 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.7 m -76.85 -35.65 57.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 62.13 111.172 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.934 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.11 -39.44 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.083 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.2 tt0 -67.24 -37.37 83.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.921 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -66.49 -32.03 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 25' ' ' THR . 94.9 t -55.99 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.41 111.086 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -73.89 -29.96 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.37 72.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.877 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.36 -46.89 37.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -56.39 -43.41 79.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.919 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.08 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 51.4 111.113 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.68 -45.43 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.66 -26.86 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -7.18 57.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.25 63.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 74.14 112.44 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.47 128.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 42.25 111.093 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.41 142.47 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.866 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.6 -130.87 3.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 62.15 112.501 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -128.35 147.88 50.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 74.22 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 70.4 m95 -108.77 137.1 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.971 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.468 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.32 149.21 36.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 73.15 111.146 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -133.28 113.51 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.06 99.43 9.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 71.42 110.849 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.86 -14.14 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.838 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -45.92 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 61.21 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 51' ' ' THR . 28.0 p -111.73 7.38 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.02 111.161 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 49.2 40.57 18.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.8 t -126.07 139.07 53.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.158 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.59 157.95 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.871 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.4 t -146.35 154.99 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.158 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' VAL . 6.0 p -128.39 120.41 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 52.21 111.122 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -100.36 141.17 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.31 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.88 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.884 0.374 . . . . 62.51 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -120.62 160.26 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 70.33 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.2 ttmt -116.18 135.45 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.843 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 30' ' ' PHE . 1.3 tp -115.72 133.12 56.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.892 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 53' ' ' THR . 5.2 mp -113.95 126.84 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.11 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.18 118.67 35.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.884 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.724 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.41 68.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.905 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 166.82 51.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -78.59 -42.06 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 72.34 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.2 t -117.42 -0.79 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 65.44 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.35 142.08 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 63.45 110.903 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.53 149.92 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.837 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.39 47.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 72.13 112.497 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -147.19 141.23 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.933 0.397 . . . . 65.42 110.897 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.35 162.77 34.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.4 p -141.12 151.26 43.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 64.12 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -144.65 144.72 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -105.17 133.63 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.882 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.35 148.0 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.119 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.39 -24.32 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.21 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -124.75 149.94 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.96 -38.53 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.31 111.082 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.54 111.087 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.8 m -76.89 -35.44 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.25 111.137 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.84 -40.25 96.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.28 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.22 110.908 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -66.59 -31.62 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' THR . 86.7 t -56.46 -52.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.118 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.7 p90 -73.56 -30.09 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.894 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -66.1 -52.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.896 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.57 -46.99 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 64.32 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -55.14 -40.82 71.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.93 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.65 -46.04 55.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 50.55 111.116 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.32 -45.66 90.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.0 -33.48 68.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.903 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -78.73 -7.13 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.11 23.03 50.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 54' ' ' VAL . 93.2 t -65.79 119.2 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 75.21 111.112 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -127.53 142.04 51.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.846 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.04 -140.47 8.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 75.42 112.447 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -111.12 138.49 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 74.12 110.88 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -105.88 137.24 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 74.3 110.935 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.55 143.99 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 54.1 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -134.41 113.27 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.21 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -111.49 98.88 7.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -13.85 59.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.852 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.55 -45.93 60.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 51' ' ' THR . 35.4 p -111.72 6.1 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.097 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 48.94 42.68 20.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.4 t -126.0 138.91 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 73.02 111.127 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -113.57 156.57 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.616 HG22 ' HB ' ' A' ' 6' ' ' ILE . 18.2 p -145.88 155.0 42.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.154 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.746 HG21 ' CG1' ' A' ' 39' ' ' VAL . 6.3 p -126.56 134.36 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.161 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.724 HG22 ' HB3' ' A' ' 8' ' ' ASN . 38.2 p -124.08 119.68 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 73.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 75.04 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 4.1 p90 -109.03 162.28 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.953 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.5 ttmt -114.55 137.23 52.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 54.11 110.898 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 6' ' ' ILE . 1.4 tm? -96.86 133.69 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.902 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 5' ' ' LEU . 5.2 mp -116.99 118.92 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 61.02 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.702 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.1 mt -97.92 129.73 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.896 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -129.93 68.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.872 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.91 37.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 40.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -81.77 -42.13 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 63.22 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -117.61 5.1 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 52.51 111.158 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.46 139.05 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 72.54 110.917 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -141.83 150.94 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.906 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.94 175.63 46.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 65.35 112.523 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -150.1 139.02 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 51.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.49 159.49 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.05 111.151 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 4' ' ' LYS . 20.3 p -131.55 146.68 52.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 61.23 111.141 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.61 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.4 t -145.74 145.84 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 61.22 111.153 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.05 135.0 46.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -134.89 162.62 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.097 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.4 -16.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -135.1 149.3 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.873 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.75 -40.63 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.15 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.01 98.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.12 111.065 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.0 m -77.48 -32.39 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.147 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.693 ' HB1' ' CZ ' ' A' ' 3' ' ' TYR . . . -59.12 -45.78 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.115 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.13 -37.01 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -60.75 -35.85 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' THR . 86.0 t -56.23 -50.29 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 75.34 111.142 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 14.1 m-85 -68.58 -38.53 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.878 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -49.04 78.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.894 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -75.3 -47.01 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -56.77 -45.27 82.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.878 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.54 -47.23 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 43.34 111.11 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -60.81 -32.54 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.52 -20.93 34.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -100.71 -3.63 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.82 24.5 72.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 70.43 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.3 p -64.6 138.23 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -128.57 141.22 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.33 10.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 54.12 112.474 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.21 148.21 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 72.42 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -112.81 151.65 30.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.05 144.05 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.164 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.19 114.29 13.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.908 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.61 99.56 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 62.14 110.814 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.21 -13.15 57.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.62 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 63.44 111.088 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.526 HG23 HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -112.7 -4.49 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.125 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 55.58 22.7 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.903 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 49' ' ' THR . 5.6 t -90.38 139.5 30.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 55.03 111.161 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.56 142.31 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.87 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.586 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -145.55 155.09 42.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 74.12 111.132 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -141.0 118.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.24 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -102.4 141.13 35.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.167 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.844 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.331 . . . . 74.41 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.698 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 41.9 p90 -109.29 160.2 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 61.25 110.935 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -116.22 135.55 53.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.96 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -107.71 123.99 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.878 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.51 117.56 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.076 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 65.51 110.881 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.07 67.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 52.43 110.852 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 167.37 48.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 60.23 112.492 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -81.97 -41.94 20.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.15 110.927 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -117.17 2.88 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 62.04 111.151 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.63 140.59 31.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.92 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.21 149.72 51.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.878 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.73 177.87 48.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 34.33 112.508 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -148.87 143.45 26.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 75.03 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.13 152.11 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 60.21 111.141 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.45 HG22 ' CG ' ' A' ' 4' ' ' LYS . 25.7 p -141.51 146.84 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.123 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 29' ' ' VAL . 14.6 t -145.43 145.67 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.122 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.34 125.1 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.15 158.33 32.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 50.15 111.09 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.83 -15.25 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 60.42 111.172 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.39 150.07 48.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.51 73.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.31 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.46 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 70.21 111.085 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.4 m -76.9 -31.88 57.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.134 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.778 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -70.88 -36.25 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 50.1 111.066 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -65.62 -48.68 71.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.878 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -31.1 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.54 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 25' ' ' THR . 68.8 t -56.7 -53.37 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.1 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.489 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.9 p90 -73.82 -29.96 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.839 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -49.24 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 65.12 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.46 -46.77 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -55.88 -44.17 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.947 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.06 56.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.073 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -58.33 -45.29 88.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.6 -27.46 64.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.873 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -4.32 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 60.32 110.933 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.75 23.63 72.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 63.21 112.491 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.26 127.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.23 111.126 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 141.9 51.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.85 -135.62 5.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 62.14 112.489 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.64 147.91 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 71.15 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -106.88 163.29 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 65.21 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.82 144.18 39.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 43.13 111.15 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.45 113.21 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.923 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.39 98.97 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.828 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.13 -14.33 60.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.84 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.77 -45.87 60.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.615 ' OG1' HG22 ' A' ' 51' ' ' THR . 24.8 p -111.72 7.85 20.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.03 111.12 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.64 33.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 70.22 110.892 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.615 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.9 t -119.17 138.9 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.33 111.163 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -105.41 165.72 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -146.33 154.96 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.144 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.9 p -146.11 118.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 54.53 111.156 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.5 m -110.42 130.97 55.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 54.3 111.154 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.779 0.323 . . . . 60.32 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.803 ' CE2' HG22 ' A' ' 18' ' ' THR . 0.1 OUTLIER -107.71 162.44 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 72.33 110.941 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -119.55 109.74 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.23 110.927 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.543 HD12 ' HE1' ' A' ' 3' ' ' TYR . 1.7 tt -99.18 133.36 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.939 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.98 132.58 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.54 111.111 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.8 mt -102.13 124.64 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.69 69.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.896 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 12' ' ' LEU . . . -82.77 165.49 44.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 52.45 112.488 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.82 -42.5 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.33 110.925 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.541 HG23 ' HG ' ' A' ' 12' ' ' LEU . 11.2 t -117.66 13.41 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 60.22 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -157.22 144.21 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.886 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -141.11 151.36 43.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.892 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.571 ' C ' HD12 ' A' ' 7' ' ' LEU . . . -179.96 177.42 48.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 75.41 112.532 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.6 133.85 38.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 65.41 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 134.28 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.15 111.143 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.682 HG22 ' HA ' ' A' ' 4' ' ' LYS . 26.8 p -141.45 147.32 37.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.138 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.803 HG22 ' CE2' ' A' ' 3' ' ' TYR . 6.1 t -144.79 147.59 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.14 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 121.22 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.907 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.68 145.31 48.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.114 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 t -88.63 -28.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 54.02 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.33 149.39 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 70.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.069 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 70.2 111.113 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.9 m -76.59 -32.71 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 71.05 111.124 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -61.25 -45.71 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 65.11 111.117 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -44.69 74.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.883 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -66.6 -38.06 86.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.3 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.701 ' CG1' HG21 ' A' ' 18' ' ' THR . 91.6 t -64.55 -36.77 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 51.2 111.137 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.771 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 7.8 m-30 -64.43 -51.29 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.824 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -35.69 73.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.863 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.61 -47.57 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.95 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -73.1 -47.04 47.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 62.11 111.082 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.18 -33.34 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.53 -21.79 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.33 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.53 -7.39 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.87 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.29 24.65 60.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 33.24 112.452 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.2 p -64.96 125.5 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 73.3 111.102 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -128.98 142.0 51.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.842 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.45 -140.15 8.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 54.23 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -103.18 148.34 25.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 71.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 39.0 m95 -115.17 137.25 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.91 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 144.02 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.22 111.121 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -135.95 113.46 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.928 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.8 98.43 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.7 -13.63 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 41.44 110.903 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.94 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 51' ' ' THR . 32.9 p -111.55 3.68 18.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 64.14 111.119 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 48.94 46.83 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.865 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.8 t -125.78 138.74 53.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.182 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.23 154.99 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.911 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -146.11 154.68 42.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 63.52 111.143 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 39' ' ' VAL . 12.8 p -138.77 130.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.128 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -110.96 120.94 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.135 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.9 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.819 0.342 . . . . 73.51 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' HE2' ' HB3' ' A' ' 26' ' ' ALA . 26.9 p90 -128.0 162.54 26.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.941 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -114.83 135.99 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.24 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.757 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.59 133.4 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.938 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.41 128.29 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.135 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.39 118.63 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.914 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 66.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.0 165.28 50.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.8 -41.95 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 63.02 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -117.16 13.19 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.3 111.157 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.99 141.99 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -140.2 149.72 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.75 177.48 48.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 71.34 112.475 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -150.79 132.97 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 53.04 110.851 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.93 150.82 49.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 60.42 111.173 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.8 p -126.81 147.25 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.04 111.198 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HE2' ' A' ' 30' ' ' PHE . 9.3 t -141.63 143.29 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 73.15 111.133 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -104.73 121.93 44.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -151.79 147.98 27.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.06 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.6 -23.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 51.51 111.116 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 149.44 50.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -24.85 61.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 60.14 111.05 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.36 83.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 62.21 111.058 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.0 m -70.51 -42.04 71.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.166 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.21 -38.11 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.052 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.39 -51.91 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.04 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -37.82 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 25' ' ' THR . 77.7 t -59.93 -48.81 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.757 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.2 m-85 -71.78 -41.79 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.837 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -42.9 72.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.34 -46.98 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.942 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.63 -42.81 84.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.45 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.11 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.9 -45.25 82.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.895 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.96 -33.63 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.925 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.45 -1.17 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.92 22.9 67.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.505 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.0 119.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 64.02 111.161 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.26 149.94 49.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.13 -154.06 25.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 54.02 112.46 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -99.93 129.63 46.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 73.41 110.904 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 39.3 m95 -102.45 136.7 41.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.02 144.07 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 72.45 111.152 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.67 113.05 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 9.1 t70 -121.53 99.53 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 60.44 110.914 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -65.35 -12.69 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -70.68 -46.33 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 54.02 111.089 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -112.17 0.18 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 49.99 49.4 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.92 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -121.14 139.2 53.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.12 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -119.3 142.66 47.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.918 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -147.6 154.79 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.51 111.177 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.46 134.64 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.115 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -124.13 120.2 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 64.33 110.943 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -109.21 155.17 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -116.29 135.59 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 60.22 110.922 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -110.03 133.3 53.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 61.32 110.935 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -109.45 120.62 61.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.54 111.138 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD13 ' CG1' ' A' ' 54' ' ' VAL . 3.1 mm? -97.63 117.36 31.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.946 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.1 65.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 53.32 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 146.59 17.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.23 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -82.73 -19.63 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 70.33 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.5 p -99.42 -20.06 16.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.135 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.44 143.54 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 61.34 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 148.42 52.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.17 179.16 48.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.483 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.83 133.02 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.52 110.911 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.2 51.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.127 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -146.92 147.08 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.17 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.58 ' CB ' HG11 ' A' ' 29' ' ' VAL . 7.8 t -144.8 145.16 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.1 111.17 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.85 122.84 46.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.845 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.067 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.48 154.47 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.03 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 t -86.92 -19.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 52.1 111.111 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.03 149.33 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.871 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.14 66.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.19 96.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 41.41 111.068 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.0 m -76.74 -40.53 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.24 111.135 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.22 -38.67 82.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.33 111.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 tt0 -61.02 -39.82 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 53.4 110.872 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -66.63 -32.42 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CB ' ' A' ' 18' ' ' THR . 91.6 t -55.9 -52.84 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.121 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -73.48 -30.12 62.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 70.1 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -45.62 81.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.918 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.13 -45.04 51.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 54.53 110.914 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.8 -41.53 95.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.68 -46.29 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 64.15 111.03 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -62.41 -43.53 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.92 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.13 -24.81 63.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.854 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.01 -7.0 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 54.21 110.907 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.9 23.41 66.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.521 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.34 130.87 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 74.55 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -127.84 137.62 52.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.53 -132.98 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 45.25 112.519 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -128.13 148.24 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 74.3 110.913 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 74.5 m95 -107.74 137.22 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.944 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.522 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.83 150.86 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 41.23 111.138 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.35 113.32 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.921 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -102.02 99.14 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 65.54 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.93 -14.06 58.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 52.25 110.868 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.32 -45.68 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 60.24 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.7 p -111.42 6.36 20.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 60.51 111.148 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 49.3 42.13 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.919 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.4 t -125.91 139.05 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.2 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -105.17 155.68 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.6 t -146.31 155.02 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 71.02 111.117 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.633 ' CG1' HD13 ' A' ' 7' ' ' LEU . 5.8 p -132.72 118.01 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.141 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 m -111.01 136.33 50.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.149 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 64.4 110.883 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 71.33 110.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.69 158.92 22.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 52.14 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.8 136.68 53.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 71.25 110.886 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.06 132.95 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.922 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.637 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.7 mp -104.11 115.81 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 72.24 111.128 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD23 ' CG1' ' A' ' 54' ' ' VAL . 9.9 mt -98.05 111.46 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 70.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.94 68.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 61.51 110.928 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 149.57 23.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 75.24 112.499 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -81.45 -22.61 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 74.24 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.812 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.3 t -107.88 -19.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 62.41 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.812 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -151.97 143.82 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 64.44 110.927 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -128.6 149.95 50.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.933 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.88 177.21 47.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 65.54 112.48 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 157.81 45.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 61.34 110.88 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.06 163.46 32.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.092 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.56 147.27 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.142 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.9 m -144.85 144.64 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.141 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.04 122.89 46.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.65 153.66 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.129 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.61 -17.05 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.16 157.61 44.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.95 61.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 63.35 111.052 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.94 90.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 45.43 111.155 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.4 m -76.51 -36.3 57.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.4 111.136 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.2 75.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 44.03 111.126 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.72 -50.74 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -60.57 -43.41 97.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 65.22 110.85 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 25' ' ' THR . 76.0 t -64.98 -47.07 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 71.32 111.156 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-85 -62.03 -48.75 78.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -33.75 76.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -65.78 -47.27 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.05 -29.7 65.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.88 -47.42 46.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 65.45 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -34.24 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.83 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.92 -21.68 58.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.9 -7.52 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.2 24.09 59.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 75.34 112.514 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.641 HG11 ' HB1' ' A' ' 34' ' ' ALA . 13.0 p -65.13 130.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 74.12 111.149 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -127.7 146.83 50.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 70.24 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.19 -133.49 4.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.488 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.73 147.95 45.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 71.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -118.08 136.95 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.59 143.98 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 44.12 111.162 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -136.88 113.5 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -101.33 99.27 9.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 72.45 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.14 -13.09 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 64.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.49 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 55.4 111.106 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -112.09 5.83 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.154 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 49.13 46.64 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 51.35 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.55 139.49 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 53.3 111.162 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -105.99 155.89 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.34 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.637 HG23 ' HB ' ' A' ' 6' ' ' ILE . 5.4 m -145.96 155.2 42.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 64.15 111.166 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.694 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.6 p -146.16 118.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.171 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -117.41 140.75 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 62.45 111.13 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' OE2' HG23 ' A' ' 39' ' ' VAL . 18.9 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 63.14 110.896 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 54.1 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.608 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 34.2 p90 -109.14 162.81 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.934 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -113.23 136.57 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.946 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -97.39 133.49 41.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.954 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -123.32 111.52 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.42 111.14 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.7 mm? -100.14 112.28 24.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.89 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.99 66.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 53.21 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.94 162.63 54.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 42.42 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.1 -42.86 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 75.45 110.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -117.82 14.86 14.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.43 111.184 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.2 142.36 17.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 51.23 110.917 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -136.45 149.74 48.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.91 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.88 178.01 48.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 73.03 112.468 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.64 143.19 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 60.13 110.863 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.434 HG23 ' CB ' ' A' ' 5' ' ' LEU . 3.7 t -137.06 143.9 42.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 50.14 111.114 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -127.58 145.14 50.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.147 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -147.1 146.17 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.161 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -103.59 121.79 43.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.63 150.46 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 43.21 111.09 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.0 -22.29 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 64.42 111.138 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.58 149.76 52.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 54.44 110.857 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.36 -38.38 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 75.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.36 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.069 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.5 m -76.88 -33.23 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.171 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.67 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.071 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tt0 -66.58 -44.86 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.885 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -56.27 -53.31 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 61.42 111.118 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.0 p90 -73.93 -30.01 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.96 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.903 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.29 -46.48 40.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -55.36 -41.85 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.938 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.49 -45.64 58.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 61.32 111.086 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.52 -46.39 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.866 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.78 -29.05 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 73.41 110.859 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.57 -3.27 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.856 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.01 61.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 33.41 112.502 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 54' ' ' VAL . 86.1 t -65.62 119.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 70.23 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.29 141.79 51.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.87 -142.92 9.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 42.44 112.478 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -114.36 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 74.03 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.8 162.84 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.957 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -146.52 155.47 42.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 71.25 111.196 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -137.28 113.15 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.927 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.31 98.17 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.857 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.01 -13.95 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.86 -46.84 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.096 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.601 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.3 p -112.18 6.82 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 60.32 111.108 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.55 34.63 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 60.21 110.923 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.601 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.5 t -118.27 139.28 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.134 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -109.36 160.44 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -146.21 147.56 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.1 111.168 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 p -133.91 118.2 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.44 111.124 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -97.62 114.22 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 75.2 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.903 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.758 0.313 . . . . 71.34 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.86 147.77 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.9 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.55 154.82 24.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.939 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -116.47 135.29 53.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.884 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -101.9 133.1 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.81 119.64 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 63.2 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 4.4 mt -98.31 123.8 42.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.41 68.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.71 168.5 49.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 74.22 112.486 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -41.98 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 65.44 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.17 -1.24 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.31 139.23 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -141.64 149.93 41.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.933 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.97 177.27 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 54.01 112.455 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.1 133.57 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 74.33 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.44 155.55 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 54.42 111.132 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' CG ' ' A' ' 4' ' ' LYS . 20.1 p -139.58 153.58 47.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.169 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.718 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.5 t -144.57 144.77 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 62.53 111.17 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.07 123.08 47.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -140.6 148.8 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.089 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.57 -23.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 72.23 111.119 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.2 150.02 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.884 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -35.16 69.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 63.45 111.124 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.89 83.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 52.52 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m -76.05 -44.64 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.123 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.8 -45.29 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.091 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -67.34 -37.24 82.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.44 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -64.58 -42.11 95.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 62.04 110.935 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 25' ' ' THR . 93.3 t -63.44 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.162 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CZ ' HG22 ' A' ' 18' ' ' THR . 12.2 m-85 -67.84 -52.48 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.896 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 43.15 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.69 -46.86 62.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 55.45 110.851 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.81 -38.96 90.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.962 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.42 -45.96 57.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 44.34 111.159 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 43.43 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.97 -25.62 63.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.841 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.79 -7.28 58.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 53.12 110.881 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 23.05 63.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.31 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.54 130.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 73.12 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.17 142.67 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.839 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.25 -136.29 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -120.15 147.7 44.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.335 . . . . 73.13 110.898 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -119.85 137.2 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.585 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.17 144.95 43.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 62.22 111.157 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -133.29 113.29 12.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 70.32 110.908 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -108.1 99.11 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.33 110.889 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.11 -14.0 59.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 60.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.35 63.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.5 ' OG1' HG22 ' A' ' 51' ' ' THR . 27.2 p -111.13 5.68 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.127 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 49.47 42.88 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.9 t -125.3 138.88 54.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.17 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.21 155.57 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 70.22 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.585 HG22 ' HB ' ' A' ' 44' ' ' THR . 13.0 t -146.12 154.73 42.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 63.21 111.147 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.2 p -134.17 121.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 25.23 111.124 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.3 m -114.11 141.17 47.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.866 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.714 0.292 . . . . 60.34 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 140.78 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.7 159.2 19.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.896 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -124.4 135.42 53.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 42.25 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.65 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -98.0 130.35 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 51.24 110.922 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.8 mp -111.79 126.77 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.061 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.9 mt -103.01 119.92 39.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.909 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 69.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.9 164.85 45.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 64.23 112.44 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -41.71 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 74.24 110.865 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.12 15.35 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.133 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.79 140.16 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.1 150.03 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.926 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.35 47.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.689 -0.767 . . . . 72.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.68 156.44 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 75.42 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.32 162.68 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 61.54 111.163 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -142.16 147.58 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.31 111.138 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 15.3 t -144.62 144.68 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.152 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -106.53 122.98 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.6 146.0 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.25 111.127 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.65 -25.17 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.106 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.15 150.08 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 72.05 110.852 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.59 70.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.082 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.78 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.08 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.5 m -73.78 -41.92 61.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 53.23 111.147 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.11 -45.17 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 73.12 111.118 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.76 -39.39 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -65.58 -38.82 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -64.94 -36.59 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.139 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.65 ' CG ' HD23 ' A' ' 5' ' ' LEU . 17.8 m-85 -65.0 -52.5 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.42 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -36.53 80.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.89 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.75 -46.93 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.918 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -65.61 -37.97 88.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 72.02 110.93 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.37 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 34.33 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -58.55 -46.13 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 51.03 110.88 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.98 -26.24 65.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 61.51 110.838 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -7.13 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 55.41 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.92 22.9 70.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.514 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -66.14 119.43 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 63.44 111.118 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -127.15 143.78 51.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.33 110.86 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.69 -134.66 4.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 71.15 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.26 137.73 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 73.12 110.864 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 59.7 m95 -114.35 137.05 52.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 145.9 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 70.42 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -133.38 113.23 12.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.937 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.73 99.0 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -65.18 -14.01 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.877 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.62 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.088 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' HG22 ' A' ' 51' ' ' THR . 26.7 p -111.35 6.25 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.121 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.65 33.05 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.939 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.2 t -112.91 139.04 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.083 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.06 153.76 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -146.13 154.73 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.12 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.454 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.3 p -133.23 121.25 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.147 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -111.3 141.12 45.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 60.3 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.886 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.722 0.296 . . . . 74.51 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.93 147.91 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 5.6 p90 -128.01 158.5 37.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 17' ' ' THR . 6.4 pttt -116.35 135.64 53.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 61.41 110.88 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.88 133.49 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 55.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.68 122.01 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.21 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -98.13 117.38 32.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 34.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.3 68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.92 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.89 170.65 55.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 70.15 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -81.83 -42.2 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 71.52 110.877 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -117.53 2.44 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.121 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 141.67 31.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -141.71 149.91 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.848 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.36 47.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 45.25 112.513 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -148.72 150.03 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.396 . . . . 74.12 110.917 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.6 162.86 36.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.21 111.157 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.633 HG22 ' CB ' ' A' ' 4' ' ' LYS . 21.5 p -137.04 147.44 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.12 111.158 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -142.5 144.81 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.169 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -104.82 122.78 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.69 148.85 47.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 62.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.61 -23.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.086 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.29 149.94 49.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.898 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.99 80.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.51 111.117 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.8 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -77.09 -32.7 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.68 -46.04 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.13 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -67.66 -36.79 81.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.04 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.87 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 71.03 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 25' ' ' THR . 99.7 t -58.37 -49.78 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 61.14 111.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -72.19 -39.94 68.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -44.06 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -72.25 -47.03 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 62.35 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -57.23 -40.17 77.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.911 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.36 -42.52 65.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 62.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -63.58 -46.34 86.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 54.15 110.867 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.77 -29.96 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.902 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.66 -7.24 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.866 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.91 22.95 56.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 73.03 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 34' ' ' ALA . 86.9 t -65.95 119.34 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 73.15 111.113 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -127.08 144.54 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.64 -139.25 7.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 74.31 112.463 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.41 147.81 38.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 50.22 110.894 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.567 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 52.0 m95 -115.07 137.14 52.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 143.96 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 44.4 111.152 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -138.09 114.22 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -111.4 99.48 8.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.864 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.81 -13.98 57.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.896 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.35 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 71.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 51' ' ' THR . 38.6 p -111.31 5.58 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.43 111.132 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 49.37 44.42 23.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 ' OG1' ' A' ' 49' ' ' THR . 13.0 t -126.01 139.51 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.125 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.75 161.33 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -145.93 154.65 42.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.085 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -145.8 120.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.1 m -111.98 141.24 45.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 54.31 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.871 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.754 0.311 . . . . 73.44 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.56 137.47 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -110.26 159.6 17.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.24 130.0 52.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.33 110.858 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.744 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -98.18 131.37 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.936 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.09 123.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.147 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.527 HD13 HG13 ' A' ' 54' ' ' VAL . 2.4 mm? -98.01 118.5 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.899 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 66.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.902 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.46 45.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.491 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -42.34 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 72.1 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -117.87 14.77 14.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -157.07 142.15 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -140.78 149.69 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 60.33 110.887 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.1 178.29 45.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.489 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 132.79 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 73.42 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.45 149.23 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.22 111.186 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -140.71 147.45 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.152 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.49 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.5 t -144.71 144.82 31.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.142 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.01 122.92 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.89 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.17 154.16 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.55 -18.64 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.109 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.26 150.05 37.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.882 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.76 62.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 71.53 111.062 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.04 96.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.1 111.102 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 m -73.46 -44.66 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.133 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.104 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.29 -40.47 64.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -66.08 -38.82 89.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.24 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG12 ' CD2' ' A' ' 33' ' ' TYR . 21.8 t -69.89 -39.71 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.113 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.744 ' CD2' HD12 ' A' ' 5' ' ' LEU . 21.9 m-85 -62.13 -52.47 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.884 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -40.23 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.98 -47.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 63.42 110.875 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 29' ' ' VAL . 1.3 m-85 -58.16 -42.0 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.935 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.43 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.36 -37.67 75.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.04 110.891 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.94 -23.99 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 -7.37 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 55.32 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 23.24 74.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 61.43 112.492 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -65.66 119.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 61.14 111.107 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.33 150.18 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 41.2 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.53 -125.54 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 51.43 112.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 75.41 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -122.12 137.2 54.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.932 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.22 144.18 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 44.3 111.13 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.57 113.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -106.84 99.34 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 73.4 110.88 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.65 -14.55 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.851 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.58 -44.75 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 61.22 111.075 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.605 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.0 p -110.96 7.57 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 60.34 111.107 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.96 31.71 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.927 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.605 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.95 138.9 50.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 62.31 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 165.78 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -144.45 154.73 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.16 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 HD13 ' A' ' 7' ' ' LEU . 6.0 p -146.07 121.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -116.23 141.24 48.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.159 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 65.54 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.711 0.291 . . . . 72.44 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.92 147.92 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 54.23 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.29 156.62 19.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 55.15 110.916 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -123.65 135.49 53.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 70.33 110.913 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tt -103.32 133.15 48.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.1 110.921 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.1 mp -106.45 116.85 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.129 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.823 HD23 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -103.99 126.95 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.72 68.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.61 149.2 29.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 74.03 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -79.85 -22.27 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 72.15 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.793 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t -106.43 -19.3 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.162 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.793 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -156.9 143.76 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.24 110.9 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -127.44 149.99 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -179.99 177.33 47.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 34.12 112.517 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 154.28 46.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 75.15 110.908 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 p -141.89 161.62 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.15 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.51 147.31 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 71.21 111.136 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.681 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.8 t -144.79 145.2 31.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.119 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 122.82 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.98 156.07 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 61.01 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.59 -16.36 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.55 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 161.93 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.847 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.9 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.2 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.5 m -74.93 -36.2 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.3 111.158 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.28 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 64.15 111.068 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -50.82 69.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.15 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -60.78 -43.06 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.922 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' THR . 77.8 t -67.05 -39.94 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.124 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.0 m-85 -69.41 -44.38 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 72.02 110.907 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.34 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 72.43 110.902 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -68.88 -47.05 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 55.14 110.931 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -63.23 -40.69 98.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.972 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.67 -46.08 55.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.1 111.093 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.71 -44.93 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 71.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.21 -24.15 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -7.23 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.67 23.21 62.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.468 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.0 p -65.44 128.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 74.42 111.112 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.34 142.5 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.86 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.78 -135.69 5.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 72.42 112.494 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -118.26 147.78 43.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 71.32 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 40.8 m95 -118.74 137.17 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.61 144.17 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 43.11 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.43 113.29 11.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -108.02 99.38 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 62.54 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -64.84 -14.28 58.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.842 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.52 -45.07 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.602 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.9 p -110.98 7.38 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.163 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.89 31.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 70.34 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.602 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.28 138.92 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.173 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -105.22 165.82 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.856 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.87 154.05 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 42.44 111.138 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.823 HG11 HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.1 120.41 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 31.32 111.117 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.6 m -122.87 141.13 52.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.187 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 72.11 110.908 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.717 0.294 . . . . 70.53 110.829 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 135.25 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.15 110.93 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.633 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 12.5 p90 -128.1 160.36 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -115.91 135.36 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.897 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -98.23 133.98 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.922 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.63 124.05 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.35 111.089 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.76 126.85 43.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 52.03 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -123.11 68.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.88 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.07 170.69 55.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 14.02 112.52 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -42.61 20.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 74.22 110.887 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.558 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.3 t -118.12 -1.06 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.53 111.12 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.64 142.11 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 41.21 110.911 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -140.38 149.29 42.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 41.34 110.932 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.41 177.5 47.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 55.53 112.482 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -142.81 156.25 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.31 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.88 163.52 34.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.11 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.86 159.43 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.159 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.4 m -145.25 142.35 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.161 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.6 122.71 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.862 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.938 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -159.24 150.55 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.102 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 12.0 p -84.25 -22.88 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.131 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.47 149.86 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.883 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.94 -38.19 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.35 111.124 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.16 -35.93 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 51.2 111.092 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.9 m -76.94 -34.77 57.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.149 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.938 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -65.9 -45.76 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 55.44 111.036 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.7 -36.73 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.3 -37.02 79.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 25' ' ' THR . 34.3 t -56.92 -51.17 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -73.05 -39.13 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -46.0 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.897 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.57 -46.83 58.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.934 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -56.82 -40.19 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -71.17 -45.86 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.072 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.48 -46.32 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.884 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.66 -31.48 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.03 -7.09 59.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.21 110.845 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.7 22.99 57.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.11 112.469 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' OE2' ' A' ' 56' ' ' GLU . 58.5 t -65.76 125.35 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 71.33 111.119 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -124.02 142.47 51.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.48 -156.21 26.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 41.44 112.513 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -106.26 132.68 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 71.32 110.883 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 74.8 m95 -106.39 163.15 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -142.91 155.72 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.126 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -139.18 113.45 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.94 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.36 97.51 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.862 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.9 -13.42 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.838 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.52 59.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 ' OG1' HG22 ' A' ' 51' ' ' THR . 67.0 p -112.02 2.33 16.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 64.31 111.11 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 47.73 37.33 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.472 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.4 t -113.39 139.31 49.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.122 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD12 ' A' ' 5' ' ' LEU . 26.2 m-85 -117.29 153.62 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.14 111.116 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -137.06 118.28 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.095 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 8' ' ' ASN . 53.1 p -104.41 129.36 52.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 52.11 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.588 ' OE2' HG13 ' A' ' 39' ' ' VAL . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.836 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.71 0.291 . . . . 72.41 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -110.93 147.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.941 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -111.02 142.76 42.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.923 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -116.43 129.5 56.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -98.15 131.91 44.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.901 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.2 mp -117.44 112.06 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.182 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -99.09 123.64 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.883 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.74 68.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.891 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.47 162.9 51.28 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.735 . . . . 74.02 112.528 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -41.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 74.14 110.93 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -117.21 5.71 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 63.32 111.158 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.13 138.31 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.71 150.03 41.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.716 -0.754 . . . . 53.04 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.66 140.3 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 65.44 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.24 160.04 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.172 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -144.07 149.13 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.6 t -144.72 144.75 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.119 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -104.95 123.02 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.967 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.05 154.77 48.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.132 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.5 -18.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.103 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.16 150.05 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.882 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -71.88 -38.49 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.05 111.076 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.94 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 61.32 111.121 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.0 m -63.92 -42.61 97.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.169 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.967 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.6 -45.36 75.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 54.14 111.108 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -37.41 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -61.16 -38.75 87.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.89 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 25' ' ' THR . 99.9 t -59.47 -47.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 42.54 111.142 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 18' ' ' THR . 16.8 m-85 -62.12 -52.51 63.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.868 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -39.71 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.62 -47.19 82.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 70.52 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -70.7 -28.36 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.958 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -68.54 -48.06 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.31 111.131 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.22 -34.67 78.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.919 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.12 -21.2 58.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.878 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -7.62 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.861 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.66 23.81 59.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 62.34 112.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.3 p -65.28 134.15 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 74.3 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -126.73 142.32 51.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.45 -135.43 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 44.04 112.484 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 147.77 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 74.21 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.483 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 64.3 m95 -112.07 137.11 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.05 149.14 37.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.122 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -133.45 113.36 12.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.93 99.36 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 62.34 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -64.86 -14.11 58.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 65.24 110.887 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.53 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 51' ' ' THR . 42.6 p -111.3 6.31 20.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.154 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 49.35 42.11 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.566 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.0 t -126.08 139.04 53.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 62.54 111.131 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.12 158.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 6' ' ' ILE . 26.0 p -146.18 154.83 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.158 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.771 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.8 p -131.89 119.27 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 43.44 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' ASN . 96.7 m -114.12 141.1 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.51 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' CD ' HG23 ' A' ' 39' ' ' VAL . 15.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.864 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.293 . . . . 71.45 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 146.4 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.894 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -109.27 160.04 16.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.93 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -123.63 135.56 54.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.912 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD21 ' HZ3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -97.47 124.78 41.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 43.11 110.964 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -101.81 111.88 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.102 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -100.69 135.56 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 32.44 110.953 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' THR . 2.7 t-20 -124.48 80.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.859 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.99 152.27 34.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.5 112.502 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -82.18 -20.7 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 75.32 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.741 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.1 t -108.86 -19.94 13.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 71.45 111.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.741 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -157.64 143.88 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.927 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -109.93 148.57 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.924 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.72 178.23 47.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.21 112.497 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.17 150.79 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 75.23 110.887 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.494 ' OG1' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.76 128.74 48.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.107 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -122.19 147.07 46.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.7 t -145.11 145.93 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.54 122.31 44.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.911 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 153.22 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 55.14 111.095 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.59 -19.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.133 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.2 150.16 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.857 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.64 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.14 111.077 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.68 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 65.43 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -68.35 -41.03 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.176 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.122 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.53 -42.55 92.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -66.32 -38.8 88.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.02 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -61.85 -38.71 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 18' ' ' THR . 25.7 m-85 -65.42 -52.51 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -43.03 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 70.23 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.0 -46.85 79.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.12 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -64.1 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.934 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.17 66.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 23.41 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.37 -45.92 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -64.68 -26.48 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.864 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -81.85 -7.28 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.94 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.89 74.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 64.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' ASN . 25.0 t -65.77 119.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 72.31 111.09 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -127.22 145.38 50.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 61.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.57 -133.19 4.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 71.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -115.1 140.77 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 62.23 110.868 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 41.8 m95 -115.34 137.28 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.874 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 145.63 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 75.22 111.157 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.34 113.33 12.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -105.3 99.01 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.04 -14.18 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.35 -45.19 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 33.11 111.125 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.58 ' OG1' HG22 ' A' ' 51' ' ' THR . 25.0 p -110.81 6.99 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.33 111.153 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 49.55 38.81 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.11 110.886 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.58 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.5 t -122.49 138.83 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.132 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 6' ' ' ILE . 7.3 m-85 -105.33 162.82 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.12 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 m -146.0 150.85 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.153 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.772 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.18 120.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 62.12 111.108 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 94.1 m -110.22 130.31 55.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.05 111.112 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.876 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.705 0.288 . . . . 75.54 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.14 149.05 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 18' ' ' THR . 5.0 p90 -109.38 161.32 15.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.915 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -120.75 137.94 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.598 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -96.21 123.88 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.95 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -106.03 118.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.132 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.5 126.52 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 54.51 110.91 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.92 68.93 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.888 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.34 168.26 50.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -41.79 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.02 110.928 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.528 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.26 -0.12 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.14 111.138 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.25 139.23 40.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.908 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -141.65 150.19 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.906 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.92 177.38 48.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -146.29 139.51 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 73.43 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.43 147.14 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.23 111.143 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -123.9 146.81 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.14 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.9 t -145.52 144.94 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 72.44 111.131 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.33 136.41 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.24 155.3 50.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.088 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.77 -21.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.89 149.63 47.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.858 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.53 -39.77 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 42.11 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.84 98.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.116 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -77.44 -32.52 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.151 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.4 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 65.41 111.088 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -64.33 -36.33 83.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 55.5 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -60.31 -39.63 87.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 33' ' ' TYR . 25.4 t -64.0 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.138 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' HD23 ' A' ' 5' ' ' LEU . 2.5 m-30 -65.1 -52.77 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 51.03 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -40.4 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.27 -47.05 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.891 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.497 ' HD2' HG12 ' A' ' 29' ' ' VAL . 2.6 m-85 -61.7 -39.18 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.92 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -72.64 -46.21 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.24 111.143 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -61.38 -46.33 90.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.06 -17.23 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.65 -8.05 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 24.33 72.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.23 112.502 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.571 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.6 t -64.54 118.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.53 111.131 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -128.64 141.93 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.5 -131.66 3.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 63.41 112.459 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -119.33 148.24 43.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.346 . . . . 63.52 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -110.82 137.16 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.972 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.466 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.87 149.84 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.13 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -133.32 113.81 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -104.11 98.9 8.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.41 110.849 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.15 -14.32 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.72 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.06 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 51' ' ' THR . 23.7 p -111.43 8.49 21.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 72.42 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 33.01 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.86 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.6 t -121.06 139.14 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.185 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -111.2 161.6 15.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.89 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.3 t -147.09 155.03 41.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.119 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HG11 ' A' ' 39' ' ' VAL . 5.9 p -132.0 118.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.062 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -98.45 141.26 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.144 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.892 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptm . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.77 0.319 . . . . 54.2 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.05 148.59 32.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 8.6 p90 -123.43 160.83 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.36 136.53 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.91 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.42 133.21 42.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.945 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.772 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.0 mp -107.21 126.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 10.7 mt -104.27 111.54 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.902 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.61 68.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.55 167.03 46.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 60.14 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -81.61 -42.21 20.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 73.42 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.52 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.4 t -117.8 0.26 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 51.43 111.134 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.81 141.95 40.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.4 110.898 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -141.79 149.73 40.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.75 177.44 47.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 61.14 112.494 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -143.18 144.1 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 62.34 110.917 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 155.7 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 70.13 111.116 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 4' ' ' LYS . 6.1 p -139.71 146.59 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.096 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.496 HG22 ' CE2' ' A' ' 30' ' ' PHE . 9.9 t -145.76 146.68 31.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.86 122.29 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.873 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -142.56 159.45 42.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.073 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.48 -16.49 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.01 111.1 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.33 148.75 51.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.12 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.06 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.126 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.62 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.15 111.145 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 m -77.12 -32.81 56.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.745 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.44 111.099 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -62.69 -49.19 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.945 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -58.92 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 60.21 110.922 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 25' ' ' THR . 72.5 t -56.75 -53.64 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.168 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' HG22 ' A' ' 18' ' ' THR . 4.4 m-85 -75.02 -31.61 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.32 110.889 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -42.42 97.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -74.48 -46.79 37.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.93 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.87 -42.03 97.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.888 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.29 -46.21 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.07 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.26 -35.3 79.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.94 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.06 -30.24 66.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.13 -7.2 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.885 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.35 61.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 15.15 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.5 p -65.34 134.48 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 42.41 111.102 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.21 142.16 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 51.41 110.863 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.96 -138.85 5.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 60.11 112.465 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.38 147.79 46.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 61.41 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -118.02 139.47 51.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.53 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -113.4 155.47 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 60.31 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -145.65 113.45 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.06 98.59 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 73.35 110.863 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -13.51 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.69 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.4 p -111.39 2.71 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.151 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 49.05 47.46 21.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -125.84 139.09 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 65.02 111.148 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -115.5 155.99 26.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.861 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.772 HG23 ' HB ' ' A' ' 6' ' ' ILE . 1.8 m -145.97 154.64 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.154 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -139.52 118.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.119 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.6 m -120.83 133.34 55.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 70.01 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.72 0.295 . . . . 70.23 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 148.17 25.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.918 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.696 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 17.7 p90 -119.96 160.56 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 70.23 110.892 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -115.14 135.54 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HE2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -107.31 129.77 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.912 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.46 125.14 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.17 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.01 115.05 27.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.908 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -112.93 66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.913 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.7 165.16 43.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 54.11 112.479 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -81.87 -42.16 19.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 62.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -117.59 15.5 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.99 141.83 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 50.51 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -141.53 149.94 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.88 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.68 178.42 47.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 30.43 112.518 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -148.8 133.15 17.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 65.44 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.88 156.37 49.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.123 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.15 155.02 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 m -145.45 143.58 30.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.138 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.33 129.17 56.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.01 156.42 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 63.41 111.103 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.52 -21.22 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.118 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.3 148.79 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.862 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.3 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 45.51 111.068 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.94 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 35.52 111.126 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.2 m -76.94 -39.23 51.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 45.41 111.156 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.924 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.88 -46.06 89.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.114 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.44 -36.89 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -60.26 -35.68 76.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 25' ' ' THR . 35.9 t -55.99 -51.55 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.14 111.145 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.25 -36.7 66.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.856 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.34 -53.81 53.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.98 -46.29 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -58.41 -44.55 89.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.935 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.43 -46.3 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.34 111.051 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.11 -46.53 88.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.88 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.26 -23.89 62.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -4.23 56.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.1 23.46 74.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 61.11 112.459 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.6 p -65.24 138.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 74.31 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.42 141.81 48.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 61.24 110.879 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.54 -156.49 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 73.21 112.463 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.42 138.81 52.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 75.31 110.886 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -102.97 137.04 41.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.924 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.59 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.89 143.85 45.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 52.25 111.157 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -133.26 113.26 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.956 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.4 99.11 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.838 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -13.61 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.873 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.11 62.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.101 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 51' ' ' THR . 77.9 p -111.79 3.11 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.179 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 49.07 47.71 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.907 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.5 t -126.12 139.03 53.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 72.24 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 5' ' ' LEU . 9.9 m-85 -111.84 150.21 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.52 110.916 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.3 t -146.42 154.97 42.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 62.14 111.102 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -133.59 120.34 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.115 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 8' ' ' ASN . 76.6 p -98.83 123.94 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 64.24 111.16 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.916 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.723 0.297 . . . . 75.24 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.65 137.87 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.886 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -109.38 159.99 16.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.938 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -125.72 135.46 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.889 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -100.16 133.06 45.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.931 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.42 128.59 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.2 111.144 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.28 111.47 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.916 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -110.28 70.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.881 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.71 168.9 46.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 63.25 112.449 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -42.07 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 64.21 110.887 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.561 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.46 -1.39 11.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 73.01 111.119 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.561 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.6 OUTLIER -137.21 142.02 42.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.892 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -140.85 149.79 42.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.86 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.4 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 53.44 112.485 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.34 157.57 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.387 . . . . 62.34 110.88 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.53 162.81 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 51.15 111.148 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 p -139.5 147.39 41.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.15 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.507 ' OG1' HG11 ' A' ' 29' ' ' VAL . 4.4 t -144.7 141.88 29.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.103 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.26 122.99 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.35 110.857 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.13 147.02 32.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 54.13 111.089 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.75 -24.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 70.1 111.147 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -117.78 150.14 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 52.15 110.897 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.29 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 111.054 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.28 96.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.149 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.7 m -76.85 -35.65 57.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 62.13 111.172 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.934 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.11 -39.44 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.083 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.2 tt0 -67.24 -37.37 83.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.921 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -66.49 -32.03 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 25' ' ' THR . 94.9 t -55.99 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.41 111.086 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -73.89 -29.96 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.37 72.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.877 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.36 -46.89 37.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -56.39 -43.41 79.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.919 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.08 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 51.4 111.113 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.68 -45.43 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.66 -26.86 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -7.18 57.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.25 63.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 74.14 112.44 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.47 128.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 42.25 111.093 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.41 142.47 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.866 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.6 -130.87 3.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 62.15 112.501 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -128.35 147.88 50.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 74.22 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 70.4 m95 -108.77 137.1 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.971 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.468 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.32 149.21 36.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 73.15 111.146 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -133.28 113.51 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.06 99.43 9.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 71.42 110.849 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.86 -14.14 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.838 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -45.92 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 61.21 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 51' ' ' THR . 28.0 p -111.73 7.38 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.02 111.161 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 49.2 40.57 18.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.8 t -126.07 139.07 53.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.158 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.59 157.95 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.871 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.4 t -146.35 154.99 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.158 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' VAL . 6.0 p -128.39 120.41 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 52.21 111.122 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -100.36 141.17 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.31 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.88 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.706 0.288 . . . . 75.24 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -88.35 147.59 24.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.87 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -120.62 160.26 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 70.33 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.2 ttmt -116.18 135.45 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.843 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 30' ' ' PHE . 1.3 tp -115.72 133.12 56.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.892 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 53' ' ' THR . 5.2 mp -113.95 126.84 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.11 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.18 118.67 35.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.884 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.724 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.41 68.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.905 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 166.82 51.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -78.59 -42.06 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 72.34 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.2 t -117.42 -0.79 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 65.44 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.35 142.08 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 63.45 110.903 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.53 149.92 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.837 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.39 47.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 72.13 112.497 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -147.19 141.23 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.933 0.397 . . . . 65.42 110.897 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.35 162.77 34.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.4 p -141.12 151.26 43.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 64.12 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -144.65 144.72 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -105.17 133.63 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.882 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.35 148.0 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.119 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.39 -24.32 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.21 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -124.75 149.94 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.96 -38.53 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.31 111.082 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.54 111.087 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.8 m -76.89 -35.44 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.25 111.137 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.84 -40.25 96.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.28 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.22 110.908 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -66.59 -31.62 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' THR . 86.7 t -56.46 -52.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.118 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.7 p90 -73.56 -30.09 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.894 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -66.1 -52.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.896 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -70.57 -46.99 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 64.32 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -55.14 -40.82 71.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.93 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.65 -46.04 55.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 50.55 111.116 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.32 -45.66 90.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.0 -33.48 68.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.903 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -78.73 -7.13 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.11 23.03 50.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 54' ' ' VAL . 93.2 t -65.79 119.2 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 75.21 111.112 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -127.53 142.04 51.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.846 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.04 -140.47 8.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 75.42 112.447 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -111.12 138.49 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 74.12 110.88 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -105.88 137.24 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 74.3 110.935 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.55 143.99 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 54.1 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -134.41 113.27 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.21 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -111.49 98.88 7.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -13.85 59.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.852 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.55 -45.93 60.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 51' ' ' THR . 35.4 p -111.72 6.1 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.097 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 48.94 42.68 20.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.4 t -126.0 138.91 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 73.02 111.127 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -113.57 156.57 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.616 HG22 ' HB ' ' A' ' 6' ' ' ILE . 18.2 p -145.88 155.0 42.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.154 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.746 HG21 ' CG1' ' A' ' 39' ' ' VAL . 6.3 p -126.56 134.36 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.161 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.724 HG22 ' HB3' ' A' ' 8' ' ' ASN . 38.2 p -124.08 119.68 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 73.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.735 0.302 . . . . 50.11 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.66 149.29 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.966 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 4.1 p90 -109.03 162.28 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.953 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.5 ttmt -114.55 137.23 52.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 54.11 110.898 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 6' ' ' ILE . 1.4 tm? -96.86 133.69 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.902 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 5' ' ' LEU . 5.2 mp -116.99 118.92 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 61.02 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.702 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.1 mt -97.92 129.73 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.896 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -129.93 68.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.872 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.91 37.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 40.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -81.77 -42.13 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 63.22 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -117.61 5.1 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 52.51 111.158 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.46 139.05 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 72.54 110.917 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -141.83 150.94 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.906 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.94 175.63 46.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 65.35 112.523 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -150.1 139.02 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 51.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.49 159.49 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.05 111.151 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 4' ' ' LYS . 20.3 p -131.55 146.68 52.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 61.23 111.141 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.61 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.4 t -145.74 145.84 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 61.22 111.153 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.05 135.0 46.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -134.89 162.62 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.097 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.4 -16.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -135.1 149.3 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.873 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.75 -40.63 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.15 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.01 98.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.12 111.065 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.0 m -77.48 -32.39 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.147 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.693 ' HB1' ' CZ ' ' A' ' 3' ' ' TYR . . . -59.12 -45.78 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.115 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.13 -37.01 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -60.75 -35.85 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' THR . 86.0 t -56.23 -50.29 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 75.34 111.142 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 14.1 m-85 -68.58 -38.53 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.878 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -49.04 78.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.894 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -75.3 -47.01 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -56.77 -45.27 82.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.878 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.54 -47.23 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 43.34 111.11 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -60.81 -32.54 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.52 -20.93 34.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -100.71 -3.63 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.82 24.5 72.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 70.43 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.3 p -64.6 138.23 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -128.57 141.22 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.33 10.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 54.12 112.474 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.21 148.21 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 72.42 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -112.81 151.65 30.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.05 144.05 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.164 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.19 114.29 13.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.908 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.61 99.56 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 62.14 110.814 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.21 -13.15 57.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.62 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 63.44 111.088 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.526 HG23 HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -112.7 -4.49 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.125 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 55.58 22.7 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.903 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 49' ' ' THR . 5.6 t -90.38 139.5 30.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 55.03 111.161 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.56 142.31 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.87 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.586 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -145.55 155.09 42.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 74.12 111.132 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -141.0 118.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.24 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -102.4 141.13 35.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.167 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.534 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.844 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.761 0.315 . . . . 73.45 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.54 145.38 25.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.934 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.698 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 41.9 p90 -109.29 160.2 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 61.25 110.935 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -116.22 135.55 53.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.96 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -107.71 123.99 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.878 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.51 117.56 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.076 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 65.51 110.881 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.07 67.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 52.43 110.852 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 167.37 48.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 60.23 112.492 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -81.97 -41.94 20.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.15 110.927 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -117.17 2.88 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 62.04 111.151 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.63 140.59 31.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.92 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.21 149.72 51.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.878 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.73 177.87 48.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 34.33 112.508 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -148.87 143.45 26.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 75.03 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.13 152.11 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 60.21 111.141 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.45 HG22 ' CG ' ' A' ' 4' ' ' LYS . 25.7 p -141.51 146.84 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.123 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 29' ' ' VAL . 14.6 t -145.43 145.67 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.122 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.34 125.1 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.15 158.33 32.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 50.15 111.09 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.83 -15.25 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 60.42 111.172 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.39 150.07 48.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.51 73.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.31 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.46 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 70.21 111.085 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.4 m -76.9 -31.88 57.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.134 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.778 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -70.88 -36.25 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 50.1 111.066 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -65.62 -48.68 71.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.878 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -31.1 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.54 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 25' ' ' THR . 68.8 t -56.7 -53.37 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.1 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.489 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.9 p90 -73.82 -29.96 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.839 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -49.24 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 65.12 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.46 -46.77 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -55.88 -44.17 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.947 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.06 56.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.073 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -58.33 -45.29 88.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.6 -27.46 64.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.873 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -4.32 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 60.32 110.933 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.75 23.63 72.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 63.21 112.491 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.26 127.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.23 111.126 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 141.9 51.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.85 -135.62 5.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 62.14 112.489 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.64 147.91 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 71.15 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -106.88 163.29 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 65.21 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.82 144.18 39.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 43.13 111.15 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.45 113.21 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.923 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.39 98.97 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.828 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.13 -14.33 60.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.84 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.77 -45.87 60.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.615 ' OG1' HG22 ' A' ' 51' ' ' THR . 24.8 p -111.72 7.85 20.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.03 111.12 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.64 33.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 70.22 110.892 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.615 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.9 t -119.17 138.9 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.33 111.163 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -105.41 165.72 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -146.33 154.96 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.144 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.9 p -146.11 118.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 54.53 111.156 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.5 m -110.42 130.97 55.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 54.3 111.154 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.704 0.288 . . . . 62.43 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.39 148.09 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 60.32 110.926 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.803 ' CE2' HG22 ' A' ' 18' ' ' THR . 0.1 OUTLIER -107.71 162.44 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 72.33 110.941 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -119.55 109.74 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.23 110.927 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 HD12 ' HE1' ' A' ' 3' ' ' TYR . 1.7 tt -99.18 133.36 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.939 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.98 132.58 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.54 111.111 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.8 mt -102.13 124.64 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.69 69.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.896 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 12' ' ' LEU . . . -82.77 165.49 44.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 52.45 112.488 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.82 -42.5 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.33 110.925 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.541 HG23 ' HG ' ' A' ' 12' ' ' LEU . 11.2 t -117.66 13.41 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 60.22 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -157.22 144.21 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.886 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -141.11 151.36 43.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.892 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' C ' HD12 ' A' ' 7' ' ' LEU . . . -179.96 177.42 48.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 75.41 112.532 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.6 133.85 38.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 65.41 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 134.28 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.15 111.143 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.682 HG22 ' HA ' ' A' ' 4' ' ' LYS . 26.8 p -141.45 147.32 37.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.138 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.803 HG22 ' CE2' ' A' ' 3' ' ' TYR . 6.1 t -144.79 147.59 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.14 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 121.22 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.907 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.68 145.31 48.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.114 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 t -88.63 -28.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 54.02 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.33 149.39 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 70.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.069 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 70.2 111.113 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.9 m -76.59 -32.71 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 71.05 111.124 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -61.25 -45.71 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 65.11 111.117 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -44.69 74.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.883 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -66.6 -38.06 86.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.3 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.701 ' CG1' HG21 ' A' ' 18' ' ' THR . 91.6 t -64.55 -36.77 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 51.2 111.137 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.771 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 7.8 m-30 -64.43 -51.29 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.824 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -35.69 73.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.863 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.61 -47.57 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.914 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.95 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -73.1 -47.04 47.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 62.11 111.082 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.18 -33.34 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.53 -21.79 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.33 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.53 -7.39 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.87 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.29 24.65 60.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 33.24 112.452 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.2 p -64.96 125.5 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 73.3 111.102 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -128.98 142.0 51.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.842 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.45 -140.15 8.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 54.23 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -103.18 148.34 25.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 71.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 39.0 m95 -115.17 137.25 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.91 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 144.02 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.22 111.121 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -135.95 113.46 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.928 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.8 98.43 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.7 -13.63 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 41.44 110.903 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.94 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 51' ' ' THR . 32.9 p -111.55 3.68 18.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 64.14 111.119 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 48.94 46.83 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.865 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.8 t -125.78 138.74 53.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.182 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.23 154.99 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.911 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -146.11 154.68 42.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 63.52 111.143 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 39' ' ' VAL . 12.8 p -138.77 130.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.128 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -110.96 120.94 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.135 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.9 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.708 0.29 . . . . 43.33 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.81 137.4 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.906 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' HE2' ' HB3' ' A' ' 26' ' ' ALA . 26.9 p90 -128.0 162.54 26.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.941 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -114.83 135.99 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.24 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.757 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.59 133.4 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.938 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.41 128.29 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.135 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.39 118.63 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.914 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 66.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.0 165.28 50.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.8 -41.95 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 63.02 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -117.16 13.19 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.3 111.157 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.99 141.99 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -140.2 149.72 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.75 177.48 48.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 71.34 112.475 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -150.79 132.97 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 53.04 110.851 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.93 150.82 49.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 60.42 111.173 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.8 p -126.81 147.25 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.04 111.198 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HE2' ' A' ' 30' ' ' PHE . 9.3 t -141.63 143.29 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 73.15 111.133 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -104.73 121.93 44.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -151.79 147.98 27.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.06 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.6 -23.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 51.51 111.116 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 149.44 50.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -24.85 61.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 60.14 111.05 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.36 83.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 62.21 111.058 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.0 m -70.51 -42.04 71.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.166 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.21 -38.11 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.052 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.39 -51.91 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.04 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -37.82 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 25' ' ' THR . 77.7 t -59.93 -48.81 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.757 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.2 m-85 -71.78 -41.79 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.837 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -42.9 72.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.34 -46.98 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.942 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.63 -42.81 84.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.45 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.11 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.9 -45.25 82.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.895 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.96 -33.63 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.925 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.45 -1.17 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.92 22.9 67.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.505 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.0 119.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 64.02 111.161 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.26 149.94 49.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.13 -154.06 25.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 54.02 112.46 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -99.93 129.63 46.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 73.41 110.904 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 39.3 m95 -102.45 136.7 41.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.02 144.07 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 72.45 111.152 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.67 113.05 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 9.1 t70 -121.53 99.53 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 60.44 110.914 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -65.35 -12.69 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -70.68 -46.33 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 54.02 111.089 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -112.17 0.18 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 49.99 49.4 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.92 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -121.14 139.2 53.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.12 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -119.3 142.66 47.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.918 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -147.6 154.79 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.51 111.177 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.46 134.64 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.115 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -124.13 120.2 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.732 0.301 . . . . 64.13 110.875 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.91 147.93 34.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.943 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -109.21 155.17 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -116.29 135.59 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 60.22 110.922 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -110.03 133.3 53.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 61.32 110.935 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -109.45 120.62 61.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.54 111.138 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD13 ' CG1' ' A' ' 54' ' ' VAL . 3.1 mm? -97.63 117.36 31.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.946 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.1 65.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 53.32 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 146.59 17.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.23 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -82.73 -19.63 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 70.33 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.5 p -99.42 -20.06 16.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.135 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.44 143.54 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 61.34 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 148.42 52.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.17 179.16 48.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.483 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.83 133.02 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.52 110.911 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.2 51.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.127 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -146.92 147.08 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.17 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.58 ' CB ' HG11 ' A' ' 29' ' ' VAL . 7.8 t -144.8 145.16 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.1 111.17 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.85 122.84 46.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.845 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.067 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.48 154.47 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.03 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 t -86.92 -19.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 52.1 111.111 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.03 149.33 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.871 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.14 66.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.19 96.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 41.41 111.068 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.0 m -76.74 -40.53 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.24 111.135 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.22 -38.67 82.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.33 111.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 tt0 -61.02 -39.82 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 53.4 110.872 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -66.63 -32.42 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CB ' ' A' ' 18' ' ' THR . 91.6 t -55.9 -52.84 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.121 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -73.48 -30.12 62.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 70.1 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -45.62 81.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.918 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.13 -45.04 51.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 54.53 110.914 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -60.8 -41.53 95.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.68 -46.29 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 64.15 111.03 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -62.41 -43.53 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.92 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.13 -24.81 63.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.854 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.01 -7.0 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 54.21 110.907 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.9 23.41 66.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.521 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.34 130.87 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 74.55 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -127.84 137.62 52.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.53 -132.98 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 45.25 112.519 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -128.13 148.24 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 74.3 110.913 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 74.5 m95 -107.74 137.22 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.944 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.522 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.83 150.86 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 41.23 111.138 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.35 113.32 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.921 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -102.02 99.14 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 65.54 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.93 -14.06 58.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 52.25 110.868 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.32 -45.68 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 60.24 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.7 p -111.42 6.36 20.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 60.51 111.148 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 49.3 42.13 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.919 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.4 t -125.91 139.05 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.2 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -105.17 155.68 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.6 t -146.31 155.02 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 71.02 111.117 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.633 ' CG1' HD13 ' A' ' 7' ' ' LEU . 5.8 p -132.72 118.01 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.141 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 m -111.01 136.33 50.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.149 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 64.4 110.883 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.701 0.286 . . . . 72.45 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -112.0 147.99 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.907 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.69 158.92 22.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 52.14 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.8 136.68 53.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 71.25 110.886 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.06 132.95 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.922 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.637 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.7 mp -104.11 115.81 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 72.24 111.128 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD23 ' CG1' ' A' ' 54' ' ' VAL . 9.9 mt -98.05 111.46 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 70.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.94 68.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 61.51 110.928 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 149.57 23.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 75.24 112.499 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -81.45 -22.61 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 74.24 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.812 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.3 t -107.88 -19.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 62.41 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.812 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -151.97 143.82 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 64.44 110.927 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -128.6 149.95 50.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.933 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.88 177.21 47.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 65.54 112.48 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 157.81 45.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 61.34 110.88 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.06 163.46 32.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.092 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.56 147.27 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.142 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.9 m -144.85 144.64 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.141 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.04 122.89 46.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.65 153.66 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.129 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.61 -17.05 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.16 157.61 44.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.95 61.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 63.35 111.052 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.94 90.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 45.43 111.155 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.4 m -76.51 -36.3 57.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.4 111.136 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.2 75.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 44.03 111.126 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.72 -50.74 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -60.57 -43.41 97.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 65.22 110.85 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 25' ' ' THR . 76.0 t -64.98 -47.07 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 71.32 111.156 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-85 -62.03 -48.75 78.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -33.75 76.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -65.78 -47.27 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.05 -29.7 65.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.88 -47.42 46.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 65.45 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -34.24 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.83 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.92 -21.68 58.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.9 -7.52 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.2 24.09 59.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 75.34 112.514 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.641 HG11 ' HB1' ' A' ' 34' ' ' ALA . 13.0 p -65.13 130.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 74.12 111.149 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -127.7 146.83 50.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 70.24 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.19 -133.49 4.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.488 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.73 147.95 45.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 71.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -118.08 136.95 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.59 143.98 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 44.12 111.162 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -136.88 113.5 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -101.33 99.27 9.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 72.45 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.14 -13.09 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 64.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.49 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 55.4 111.106 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -112.09 5.83 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.154 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 49.13 46.64 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 51.35 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.55 139.49 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 53.3 111.162 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -105.99 155.89 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.34 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.637 HG23 ' HB ' ' A' ' 6' ' ' ILE . 5.4 m -145.96 155.2 42.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 64.15 111.166 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.694 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.6 p -146.16 118.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.171 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -117.41 140.75 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 62.45 111.13 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' OE2' HG23 ' A' ' 39' ' ' VAL . 18.9 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 63.14 110.896 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 72.14 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.22 144.89 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.608 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 34.2 p90 -109.14 162.81 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.934 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -113.23 136.57 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.946 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -97.39 133.49 41.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.954 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -123.32 111.52 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.42 111.14 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.7 mm? -100.14 112.28 24.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.89 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.99 66.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 53.21 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.94 162.63 54.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 42.42 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.1 -42.86 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 75.45 110.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -117.82 14.86 14.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.43 111.184 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.2 142.36 17.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 51.23 110.917 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -136.45 149.74 48.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.91 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.88 178.01 48.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 73.03 112.468 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.64 143.19 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 60.13 110.863 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.434 HG23 ' CB ' ' A' ' 5' ' ' LEU . 3.7 t -137.06 143.9 42.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 50.14 111.114 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -127.58 145.14 50.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.147 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -147.1 146.17 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.161 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -103.59 121.79 43.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.63 150.46 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 43.21 111.09 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.0 -22.29 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 64.42 111.138 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.58 149.76 52.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 54.44 110.857 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.36 -38.38 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 75.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.36 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.069 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.5 m -76.88 -33.23 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.171 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.67 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.071 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tt0 -66.58 -44.86 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.885 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -56.27 -53.31 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 61.42 111.118 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.0 p90 -73.93 -30.01 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.96 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.903 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.29 -46.48 40.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.902 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -55.36 -41.85 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.938 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.49 -45.64 58.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 61.32 111.086 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.52 -46.39 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.866 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.78 -29.05 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 73.41 110.859 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.57 -3.27 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.856 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.01 61.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 33.41 112.502 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 54' ' ' VAL . 86.1 t -65.62 119.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 70.23 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.29 141.79 51.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.87 -142.92 9.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 42.44 112.478 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -114.36 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 74.03 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.8 162.84 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.957 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -146.52 155.47 42.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 71.25 111.196 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -137.28 113.15 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.927 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.31 98.17 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.857 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.01 -13.95 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.86 -46.84 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.096 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.601 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.3 p -112.18 6.82 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 60.32 111.108 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.55 34.63 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 60.21 110.923 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.601 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.5 t -118.27 139.28 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.134 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -109.36 160.44 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -146.21 147.56 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.1 111.168 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 p -133.91 118.2 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.44 111.124 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -97.62 114.22 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 75.2 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.903 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.808 0.337 . . . . 74.2 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.55 154.82 24.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.939 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -116.47 135.29 53.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.884 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -101.9 133.1 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.81 119.64 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 63.2 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 4.4 mt -98.31 123.8 42.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.41 68.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.71 168.5 49.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 74.22 112.486 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -41.98 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 65.44 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.17 -1.24 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.54 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.31 139.23 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -141.64 149.93 41.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.933 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.97 177.27 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 54.01 112.455 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.1 133.57 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 74.33 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.44 155.55 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 54.42 111.132 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' CG ' ' A' ' 4' ' ' LYS . 20.1 p -139.58 153.58 47.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.169 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.718 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.5 t -144.57 144.77 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 62.53 111.17 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.07 123.08 47.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -140.6 148.8 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.089 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.57 -23.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 72.23 111.119 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.2 150.02 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.884 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -35.16 69.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 63.45 111.124 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.89 83.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 52.52 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m -76.05 -44.64 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.123 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.8 -45.29 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.091 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -67.34 -37.24 82.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.44 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -64.58 -42.11 95.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 62.04 110.935 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 25' ' ' THR . 93.3 t -63.44 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.162 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CZ ' HG22 ' A' ' 18' ' ' THR . 12.2 m-85 -67.84 -52.48 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.896 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 43.15 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.546 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.69 -46.86 62.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 55.45 110.851 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' N ' HE21 ' A' ' 32' ' ' GLN . 76.7 t80 -65.81 -38.96 90.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.962 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.42 -45.96 57.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 44.34 111.159 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 43.43 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.97 -25.62 63.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.841 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.79 -7.28 58.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 53.12 110.881 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 23.05 63.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.31 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.54 130.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 73.12 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.17 142.67 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.839 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.25 -136.29 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -120.15 147.7 44.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.335 . . . . 73.13 110.898 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -119.85 137.2 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.585 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.17 144.95 43.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 62.22 111.157 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -133.29 113.29 12.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 70.32 110.908 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -108.1 99.11 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.33 110.889 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.11 -14.0 59.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 60.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.35 63.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.5 ' OG1' HG22 ' A' ' 51' ' ' THR . 27.2 p -111.13 5.68 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.127 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 49.47 42.88 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.9 t -125.3 138.88 54.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.17 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.21 155.57 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 70.22 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.585 HG22 ' HB ' ' A' ' 44' ' ' THR . 13.0 t -146.12 154.73 42.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 63.21 111.147 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.2 p -134.17 121.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 25.23 111.124 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.3 m -114.11 141.17 47.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.866 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.317 . . . . 72.43 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.7 159.2 19.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.896 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -124.4 135.42 53.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 42.25 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.65 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -98.0 130.35 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 51.24 110.922 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.8 mp -111.79 126.77 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.061 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.9 mt -103.01 119.92 39.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.909 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 69.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.9 164.85 45.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 64.23 112.44 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -41.71 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 74.24 110.865 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.12 15.35 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.133 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.79 140.16 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.1 150.03 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.926 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.35 47.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.689 -0.767 . . . . 72.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.68 156.44 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 75.42 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.32 162.68 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 61.54 111.163 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -142.16 147.58 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.31 111.138 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 15.3 t -144.62 144.68 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.152 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -106.53 122.98 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.6 146.0 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.25 111.127 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.65 -25.17 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.106 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.15 150.08 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 72.05 110.852 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.59 70.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.082 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.78 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.08 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.5 m -73.78 -41.92 61.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 53.23 111.147 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.11 -45.17 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 73.12 111.118 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.76 -39.39 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -65.58 -38.82 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -64.94 -36.59 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.139 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.65 ' CG ' HD23 ' A' ' 5' ' ' LEU . 17.8 m-85 -65.0 -52.5 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.42 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -36.53 80.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.89 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.75 -46.93 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.54 ' N ' HE21 ' A' ' 32' ' ' GLN . 42.2 t80 -65.61 -37.97 88.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 72.02 110.93 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.37 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 34.33 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -58.55 -46.13 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 51.03 110.88 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.98 -26.24 65.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 61.51 110.838 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -7.13 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 55.41 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.92 22.9 70.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.514 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -66.14 119.43 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 63.44 111.118 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -127.15 143.78 51.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.33 110.86 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.69 -134.66 4.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 71.15 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.26 137.73 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 73.12 110.864 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 59.7 m95 -114.35 137.05 52.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 145.9 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 70.42 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -133.38 113.23 12.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.937 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.73 99.0 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -65.18 -14.01 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.877 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.62 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.088 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' HG22 ' A' ' 51' ' ' THR . 26.7 p -111.35 6.25 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.121 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.65 33.05 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.939 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.2 t -112.91 139.04 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.083 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.06 153.76 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -146.13 154.73 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.12 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.454 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.3 p -133.23 121.25 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.147 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -111.3 141.12 45.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 60.3 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.886 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.33 . . . . 72.14 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 5.6 p90 -128.01 158.5 37.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 17' ' ' THR . 6.4 pttt -116.35 135.64 53.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 61.41 110.88 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.88 133.49 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 55.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.68 122.01 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.21 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -98.13 117.38 32.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 34.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.3 68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.92 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.89 170.65 55.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 70.15 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -81.83 -42.2 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 71.52 110.877 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -117.53 2.44 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.121 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 141.67 31.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -141.71 149.91 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.848 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.36 47.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 45.25 112.513 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -148.72 150.03 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.396 . . . . 74.12 110.917 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.6 162.86 36.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.21 111.157 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.633 HG22 ' CB ' ' A' ' 4' ' ' LYS . 21.5 p -137.04 147.44 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.12 111.158 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -142.5 144.81 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.169 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -104.82 122.78 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.69 148.85 47.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 62.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.61 -23.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.086 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.29 149.94 49.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.898 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.99 80.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.51 111.117 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.8 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -77.09 -32.7 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.68 -46.04 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.13 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -67.66 -36.79 81.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.04 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.87 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 71.03 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 25' ' ' THR . 99.7 t -58.37 -49.78 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 61.14 111.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -72.19 -39.94 68.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -44.06 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.563 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -72.25 -47.03 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 62.35 110.91 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.563 ' N ' HE21 ' A' ' 32' ' ' GLN . 31.8 t80 -57.23 -40.17 77.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.911 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.36 -42.52 65.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 62.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -63.58 -46.34 86.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 54.15 110.867 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.77 -29.96 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.902 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.66 -7.24 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.866 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.91 22.95 56.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 73.03 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 34' ' ' ALA . 86.9 t -65.95 119.34 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 73.15 111.113 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -127.08 144.54 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.64 -139.25 7.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 74.31 112.463 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.41 147.81 38.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 50.22 110.894 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.567 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 52.0 m95 -115.07 137.14 52.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 143.96 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 44.4 111.152 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -138.09 114.22 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -111.4 99.48 8.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.864 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.81 -13.98 57.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.896 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.35 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 71.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 51' ' ' THR . 38.6 p -111.31 5.58 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.43 111.132 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 49.37 44.42 23.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 ' OG1' ' A' ' 49' ' ' THR . 13.0 t -126.01 139.51 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.125 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.75 161.33 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -145.93 154.65 42.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.085 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -145.8 120.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.1 m -111.98 141.24 45.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 54.31 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.871 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 74.2 110.91 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -110.26 159.6 17.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.24 130.0 52.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.33 110.858 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.744 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -98.18 131.37 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.936 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.09 123.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.147 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.527 HD13 HG13 ' A' ' 54' ' ' VAL . 2.4 mm? -98.01 118.5 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.899 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 66.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.902 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.46 45.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.491 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -42.34 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 72.1 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -117.87 14.77 14.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -157.07 142.15 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -140.78 149.69 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 60.33 110.887 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.1 178.29 45.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.489 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 132.79 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 73.42 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.45 149.23 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.22 111.186 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -140.71 147.45 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.152 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.49 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.5 t -144.71 144.82 31.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.142 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.01 122.92 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.89 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.17 154.16 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.55 -18.64 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.109 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.26 150.05 37.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.882 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.76 62.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 71.53 111.062 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.04 96.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.1 111.102 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 m -73.46 -44.66 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.133 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.104 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.29 -40.47 64.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -66.08 -38.82 89.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.24 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG12 ' CD2' ' A' ' 33' ' ' TYR . 21.8 t -69.89 -39.71 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.113 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.744 ' CD2' HD12 ' A' ' 5' ' ' LEU . 21.9 m-85 -62.13 -52.47 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.884 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -40.23 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.573 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.98 -47.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 63.42 110.875 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 29' ' ' VAL . 1.3 m-85 -58.16 -42.0 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.935 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.43 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.36 -37.67 75.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.04 110.891 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.94 -23.99 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 -7.37 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 55.32 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 23.24 74.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 61.43 112.492 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -65.66 119.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 61.14 111.107 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.33 150.18 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 41.2 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.53 -125.54 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 51.43 112.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 75.41 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -122.12 137.2 54.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.932 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.22 144.18 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 44.3 111.13 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.57 113.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -106.84 99.34 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 73.4 110.88 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.65 -14.55 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.851 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.58 -44.75 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 61.22 111.075 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.605 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.0 p -110.96 7.57 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 60.34 111.107 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.96 31.71 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.927 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.605 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.95 138.9 50.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 62.31 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 165.78 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -144.45 154.73 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.16 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 HD13 ' A' ' 7' ' ' LEU . 6.0 p -146.07 121.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -116.23 141.24 48.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.159 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 65.54 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 54.23 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.29 156.62 19.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 55.15 110.916 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -123.65 135.49 53.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 70.33 110.913 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tt -103.32 133.15 48.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.1 110.921 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.1 mp -106.45 116.85 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.129 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.823 HD23 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -103.99 126.95 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.72 68.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.61 149.2 29.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 74.03 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -79.85 -22.27 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 72.15 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.793 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t -106.43 -19.3 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.162 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.793 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -156.9 143.76 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.24 110.9 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -127.44 149.99 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -179.99 177.33 47.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 34.12 112.517 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 154.28 46.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 75.15 110.908 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 p -141.89 161.62 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.15 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.51 147.31 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 71.21 111.136 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.681 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.8 t -144.79 145.2 31.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.119 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 122.82 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.98 156.07 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 61.01 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.59 -16.36 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.55 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 161.93 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.847 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.9 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.2 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.5 m -74.93 -36.2 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.3 111.158 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.28 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 64.15 111.068 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -50.82 69.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.15 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -60.78 -43.06 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.922 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' THR . 77.8 t -67.05 -39.94 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.124 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.0 m-85 -69.41 -44.38 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 72.02 110.907 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.34 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 72.43 110.902 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.88 -47.05 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 55.14 110.931 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' N ' HE21 ' A' ' 32' ' ' GLN . 69.7 t80 -63.23 -40.69 98.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.972 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.67 -46.08 55.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.1 111.093 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.71 -44.93 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 71.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.21 -24.15 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -7.23 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.67 23.21 62.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.468 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.0 p -65.44 128.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 74.42 111.112 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.34 142.5 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.86 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.78 -135.69 5.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 72.42 112.494 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -118.26 147.78 43.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 71.32 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 40.8 m95 -118.74 137.17 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.61 144.17 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 43.11 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.43 113.29 11.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -108.02 99.38 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 62.54 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -64.84 -14.28 58.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.842 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.52 -45.07 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.602 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.9 p -110.98 7.38 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.163 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.89 31.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 70.34 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.602 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.28 138.92 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.173 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -105.22 165.82 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.856 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.87 154.05 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 42.44 111.138 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.823 HG11 HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.1 120.41 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 31.32 111.117 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.6 m -122.87 141.13 52.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.187 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 72.11 110.908 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.796 0.331 . . . . 64.15 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.633 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 12.5 p90 -128.1 160.36 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -115.91 135.36 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.897 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -98.23 133.98 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.922 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.63 124.05 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.35 111.089 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.76 126.85 43.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 52.03 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -123.11 68.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.88 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.07 170.69 55.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 14.02 112.52 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -42.61 20.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 74.22 110.887 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.558 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.3 t -118.12 -1.06 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.53 111.12 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.64 142.11 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 41.21 110.911 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -140.38 149.29 42.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 41.34 110.932 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.41 177.5 47.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 55.53 112.482 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -142.81 156.25 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.31 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.88 163.52 34.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.11 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.86 159.43 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.159 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.4 m -145.25 142.35 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.161 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.6 122.71 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.862 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.938 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -159.24 150.55 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.102 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.0 p -84.25 -22.88 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.131 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.47 149.86 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.883 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.94 -38.19 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.35 111.124 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.16 -35.93 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 51.2 111.092 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.9 m -76.94 -34.77 57.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.149 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.938 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -65.9 -45.76 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 55.44 111.036 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.7 -36.73 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.3 -37.02 79.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 25' ' ' THR . 34.3 t -56.92 -51.17 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -73.05 -39.13 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -46.0 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.897 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.578 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -71.57 -46.83 58.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.934 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.578 ' N ' HE21 ' A' ' 32' ' ' GLN . 18.0 t80 -56.82 -40.19 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.917 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -71.17 -45.86 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.072 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.48 -46.32 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.884 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.66 -31.48 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.03 -7.09 59.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.21 110.845 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.7 22.99 57.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.11 112.469 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' OE2' ' A' ' 56' ' ' GLU . 58.5 t -65.76 125.35 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 71.33 111.119 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -124.02 142.47 51.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.48 -156.21 26.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 41.44 112.513 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -106.26 132.68 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 71.32 110.883 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 74.8 m95 -106.39 163.15 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -142.91 155.72 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.126 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -139.18 113.45 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.94 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.36 97.51 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.862 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.9 -13.42 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.838 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.52 59.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.472 ' OG1' HG22 ' A' ' 51' ' ' THR . 67.0 p -112.02 2.33 16.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 64.31 111.11 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 47.73 37.33 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.472 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.4 t -113.39 139.31 49.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.122 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD12 ' A' ' 5' ' ' LEU . 26.2 m-85 -117.29 153.62 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.14 111.116 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -137.06 118.28 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.095 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 8' ' ' ASN . 53.1 p -104.41 129.36 52.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 52.11 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.588 ' OE2' HG13 ' A' ' 39' ' ' VAL . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.836 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.829 0.347 . . . . 65.44 110.941 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -111.02 142.76 42.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.923 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -116.43 129.5 56.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -98.15 131.91 44.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.901 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.2 mp -117.44 112.06 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.182 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.771 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -99.09 123.64 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.883 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.74 68.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.891 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.47 162.9 51.28 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.735 . . . . 74.02 112.528 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -41.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 74.14 110.93 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -117.21 5.71 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 63.32 111.158 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.13 138.31 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.71 150.03 41.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.716 -0.754 . . . . 53.04 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.66 140.3 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 65.44 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.24 160.04 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.172 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -144.07 149.13 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.6 t -144.72 144.75 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.119 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -104.95 123.02 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.967 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.05 154.77 48.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.132 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.5 -18.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.103 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.16 150.05 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.882 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -71.88 -38.49 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.05 111.076 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.94 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 61.32 111.121 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.0 m -63.92 -42.61 97.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.169 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.967 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.6 -45.36 75.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 54.14 111.108 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -37.41 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -61.16 -38.75 87.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.89 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 25' ' ' THR . 99.9 t -59.47 -47.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 42.54 111.142 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 18' ' ' THR . 16.8 m-85 -62.12 -52.51 63.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.868 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -39.71 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.484 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.62 -47.19 82.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 70.52 110.898 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.2 t80 -70.7 -28.36 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -68.54 -48.06 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.31 111.131 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.22 -34.67 78.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.919 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.12 -21.2 58.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.878 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -7.62 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.861 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.66 23.81 59.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 62.34 112.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.3 p -65.28 134.15 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 74.3 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -126.73 142.32 51.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.45 -135.43 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 44.04 112.484 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 147.77 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 74.21 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.483 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 64.3 m95 -112.07 137.11 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.05 149.14 37.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.122 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -133.45 113.36 12.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.93 99.36 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 62.34 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -64.86 -14.11 58.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 65.24 110.887 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.53 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 51' ' ' THR . 42.6 p -111.3 6.31 20.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.154 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 49.35 42.11 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.566 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.0 t -126.08 139.04 53.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 62.54 111.131 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.12 158.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 6' ' ' ILE . 26.0 p -146.18 154.83 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.158 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.771 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.8 p -131.89 119.27 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 43.44 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' ASN . 96.7 m -114.12 141.1 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.51 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' CD ' HG23 ' A' ' 39' ' ' VAL . 15.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.864 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 73.12 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -109.27 160.04 16.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.93 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -123.63 135.56 54.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.912 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD21 ' HZ3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -97.47 124.78 41.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 43.11 110.964 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -101.81 111.88 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.102 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -100.69 135.56 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 32.44 110.953 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -124.48 80.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.859 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.99 152.27 34.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.5 112.502 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -82.18 -20.7 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 75.32 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.741 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.1 t -108.86 -19.94 13.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 71.45 111.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.741 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -157.64 143.88 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.927 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -109.93 148.57 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.924 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.72 178.23 47.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.21 112.497 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.17 150.79 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 75.23 110.887 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.494 ' OG1' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.76 128.74 48.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.107 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -122.19 147.07 46.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.7 t -145.11 145.93 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.54 122.31 44.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.911 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 153.22 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 55.14 111.095 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.59 -19.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.133 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.2 150.16 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.857 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.64 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.14 111.077 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.68 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 65.43 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -68.35 -41.03 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.176 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.122 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.53 -42.55 92.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -66.32 -38.8 88.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.02 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -61.85 -38.71 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 18' ' ' THR . 25.7 m-85 -65.42 -52.51 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -43.03 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 70.23 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.542 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.0 -46.85 79.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.12 110.931 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.542 ' N ' HE21 ' A' ' 32' ' ' GLN . 28.5 t80 -64.1 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.934 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.17 66.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 23.41 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.37 -45.92 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -64.68 -26.48 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.864 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -81.85 -7.28 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.94 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.89 74.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 64.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' ASN . 25.0 t -65.77 119.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 72.31 111.09 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -127.22 145.38 50.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 61.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.57 -133.19 4.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 71.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -115.1 140.77 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 62.23 110.868 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 41.8 m95 -115.34 137.28 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.874 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 145.63 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 75.22 111.157 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.34 113.33 12.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -105.3 99.01 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.04 -14.18 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.35 -45.19 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 33.11 111.125 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.58 ' OG1' HG22 ' A' ' 51' ' ' THR . 25.0 p -110.81 6.99 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.33 111.153 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 49.55 38.81 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.11 110.886 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.58 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.5 t -122.49 138.83 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.132 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 6' ' ' ILE . 7.3 m-85 -105.33 162.82 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.12 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 m -146.0 150.85 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.153 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.772 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.18 120.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 62.12 111.108 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 94.1 m -110.22 130.31 55.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.05 111.112 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.876 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.796 0.332 . . . . 64.41 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 18' ' ' THR . 5.0 p90 -109.38 161.32 15.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.915 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -120.75 137.94 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.598 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -96.21 123.88 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.95 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -106.03 118.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.132 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.5 126.52 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 54.51 110.91 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.92 68.93 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.888 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.34 168.26 50.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -41.79 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.02 110.928 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.528 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.26 -0.12 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.14 111.138 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.25 139.23 40.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.908 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -141.65 150.19 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.906 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.92 177.38 48.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -146.29 139.51 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 73.43 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.43 147.14 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.23 111.143 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -123.9 146.81 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.14 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.9 t -145.52 144.94 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 72.44 111.131 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.33 136.41 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.24 155.3 50.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.088 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.77 -21.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.89 149.63 47.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.858 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.53 -39.77 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 42.11 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.84 98.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.116 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -77.44 -32.52 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.151 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.4 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 65.41 111.088 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -64.33 -36.33 83.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 55.5 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -60.31 -39.63 87.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 33' ' ' TYR . 25.4 t -64.0 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.138 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' HD23 ' A' ' 5' ' ' LEU . 2.5 m-30 -65.1 -52.77 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 51.03 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -40.4 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.561 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -64.27 -47.05 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.891 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.561 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.6 m-85 -61.7 -39.18 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.92 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -72.64 -46.21 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.24 111.143 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -61.38 -46.33 90.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.06 -17.23 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.65 -8.05 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 24.33 72.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.23 112.502 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.571 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.6 t -64.54 118.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.53 111.131 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -128.64 141.93 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.5 -131.66 3.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 63.41 112.459 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -119.33 148.24 43.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.346 . . . . 63.52 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -110.82 137.16 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.972 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.466 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.87 149.84 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.13 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -133.32 113.81 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -104.11 98.9 8.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.41 110.849 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.15 -14.32 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.72 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.06 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 51' ' ' THR . 23.7 p -111.43 8.49 21.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 72.42 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 33.01 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.86 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.6 t -121.06 139.14 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.185 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -111.2 161.6 15.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.89 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.3 t -147.09 155.03 41.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.119 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HG11 ' A' ' 39' ' ' VAL . 5.9 p -132.0 118.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.062 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -98.45 141.26 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.144 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.892 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 75.53 110.947 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 8.6 p90 -123.43 160.83 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.36 136.53 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.91 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.42 133.21 42.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.945 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.772 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.0 mp -107.21 126.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 10.7 mt -104.27 111.54 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.902 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.61 68.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.55 167.03 46.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 60.14 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -81.61 -42.21 20.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 73.42 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.52 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.4 t -117.8 0.26 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 51.43 111.134 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.81 141.95 40.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.4 110.898 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -141.79 149.73 40.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.75 177.44 47.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 61.14 112.494 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -143.18 144.1 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 62.34 110.917 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 155.7 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 70.13 111.116 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 4' ' ' LYS . 6.1 p -139.71 146.59 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.096 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.496 HG22 ' CE2' ' A' ' 30' ' ' PHE . 9.9 t -145.76 146.68 31.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.86 122.29 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.873 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -142.56 159.45 42.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.073 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.48 -16.49 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.01 111.1 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.33 148.75 51.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.12 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.06 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.126 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.62 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.15 111.145 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 m -77.12 -32.81 56.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.745 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.44 111.099 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -62.69 -49.19 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.945 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -58.92 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 60.21 110.922 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 25' ' ' THR . 72.5 t -56.75 -53.64 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.168 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' HG22 ' A' ' 18' ' ' THR . 4.4 m-85 -75.02 -31.61 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.32 110.889 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -42.42 97.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.48 -46.79 37.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.93 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.576 ' N ' HE21 ' A' ' 32' ' ' GLN . 3.2 t80 -60.87 -42.03 97.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.888 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.29 -46.21 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.07 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.26 -35.3 79.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.94 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.06 -30.24 66.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.13 -7.2 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.885 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.35 61.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 15.15 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.5 p -65.34 134.48 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 42.41 111.102 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.21 142.16 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 51.41 110.863 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.96 -138.85 5.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 60.11 112.465 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.38 147.79 46.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 61.41 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -118.02 139.47 51.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.53 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -113.4 155.47 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 60.31 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -145.65 113.45 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.06 98.59 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 73.35 110.863 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -13.51 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.69 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.4 p -111.39 2.71 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.151 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 49.05 47.46 21.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -125.84 139.09 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 65.02 111.148 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -115.5 155.99 26.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.861 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.772 HG23 ' HB ' ' A' ' 6' ' ' ILE . 1.8 m -145.97 154.64 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.154 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -139.52 118.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.119 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.6 m -120.83 133.34 55.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 70.01 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.796 0.331 . . . . 73.42 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.696 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 17.7 p90 -119.96 160.56 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 70.23 110.892 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -115.14 135.54 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HE2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -107.31 129.77 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.912 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.46 125.14 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.17 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.01 115.05 27.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.908 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -112.93 66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.913 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.7 165.16 43.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 54.11 112.479 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -81.87 -42.16 19.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 62.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -117.59 15.5 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.99 141.83 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 50.51 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -141.53 149.94 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.88 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.68 178.42 47.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 30.43 112.518 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -148.8 133.15 17.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 65.44 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.88 156.37 49.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.123 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.15 155.02 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 m -145.45 143.58 30.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.138 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.33 129.17 56.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.01 156.42 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 63.41 111.103 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.52 -21.22 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.118 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.3 148.79 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.862 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.3 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 45.51 111.068 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.94 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 35.52 111.126 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.2 m -76.94 -39.23 51.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 45.41 111.156 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.924 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.88 -46.06 89.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.114 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.44 -36.89 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -60.26 -35.68 76.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 25' ' ' THR . 35.9 t -55.99 -51.55 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.14 111.145 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.25 -36.7 66.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.856 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.34 -53.81 53.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.581 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.98 -46.29 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.938 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.581 ' N ' HE21 ' A' ' 32' ' ' GLN . 19.5 t80 -58.41 -44.55 89.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.935 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.43 -46.3 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.34 111.051 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.11 -46.53 88.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.88 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.26 -23.89 62.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -4.23 56.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.1 23.46 74.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 61.11 112.459 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.6 p -65.24 138.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 74.31 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.42 141.81 48.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 61.24 110.879 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.54 -156.49 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 73.21 112.463 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.42 138.81 52.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 75.31 110.886 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -102.97 137.04 41.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.924 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.59 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.89 143.85 45.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 52.25 111.157 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -133.26 113.26 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.956 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.4 99.11 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.838 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -13.61 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.873 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.11 62.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.101 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 51' ' ' THR . 77.9 p -111.79 3.11 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.179 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 49.07 47.71 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.907 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.5 t -126.12 139.03 53.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 72.24 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 5' ' ' LEU . 9.9 m-85 -111.84 150.21 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.52 110.916 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.3 t -146.42 154.97 42.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 62.14 111.102 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -133.59 120.34 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.115 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 8' ' ' ASN . 76.6 p -98.83 123.94 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 64.24 111.16 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.916 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.354 . . . . 73.34 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -109.38 159.99 16.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.938 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -125.72 135.46 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.889 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -100.16 133.06 45.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.931 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.42 128.59 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.2 111.144 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.28 111.47 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.916 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.28 70.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.881 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.71 168.9 46.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 63.25 112.449 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -42.07 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 64.21 110.887 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.561 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.46 -1.39 11.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 73.01 111.119 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.561 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.6 OUTLIER -137.21 142.02 42.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.892 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -140.85 149.79 42.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.86 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.4 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 53.44 112.485 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.34 157.57 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.387 . . . . 62.34 110.88 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.53 162.81 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 51.15 111.148 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 p -139.5 147.39 41.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.15 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.507 ' OG1' HG11 ' A' ' 29' ' ' VAL . 4.4 t -144.7 141.88 29.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.103 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.26 122.99 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.35 110.857 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.13 147.02 32.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 54.13 111.089 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.75 -24.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 70.1 111.147 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -117.78 150.14 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 52.15 110.897 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.29 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 111.054 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.28 96.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.149 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.7 m -76.85 -35.65 57.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 62.13 111.172 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.934 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.11 -39.44 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.083 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.2 tt0 -67.24 -37.37 83.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.921 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -66.49 -32.03 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 25' ' ' THR . 94.9 t -55.99 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.41 111.086 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -73.89 -29.96 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.37 72.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.877 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.579 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.36 -46.89 37.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.863 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.579 ' N ' HE21 ' A' ' 32' ' ' GLN . 73.5 t80 -56.39 -43.41 79.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.919 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.08 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 51.4 111.113 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.68 -45.43 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.66 -26.86 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -7.18 57.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.25 63.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 74.14 112.44 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.47 128.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 42.25 111.093 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.41 142.47 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.866 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.6 -130.87 3.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 62.15 112.501 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -128.35 147.88 50.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 74.22 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 70.4 m95 -108.77 137.1 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.971 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.468 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.32 149.21 36.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 73.15 111.146 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -133.28 113.51 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.06 99.43 9.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 71.42 110.849 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.86 -14.14 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.838 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -45.92 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 61.21 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 51' ' ' THR . 28.0 p -111.73 7.38 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.02 111.161 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 49.2 40.57 18.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.8 t -126.07 139.07 53.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.158 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.59 157.95 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.871 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.4 t -146.35 154.99 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.158 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' VAL . 6.0 p -128.39 120.41 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 52.21 111.122 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -100.36 141.17 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.31 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.88 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.884 0.374 . . . . 62.51 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -120.62 160.26 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 70.33 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.2 ttmt -116.18 135.45 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.843 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 30' ' ' PHE . 1.3 tp -115.72 133.12 56.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.892 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 53' ' ' THR . 5.2 mp -113.95 126.84 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.11 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.18 118.67 35.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.884 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.724 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.41 68.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.905 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 166.82 51.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -78.59 -42.06 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 72.34 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.2 t -117.42 -0.79 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 65.44 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.35 142.08 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 63.45 110.903 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.53 149.92 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.837 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.39 47.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 72.13 112.497 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -147.19 141.23 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.933 0.397 . . . . 65.42 110.897 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.35 162.77 34.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.4 p -141.12 151.26 43.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 64.12 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -144.65 144.72 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -105.17 133.63 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.882 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.35 148.0 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.119 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.39 -24.32 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.21 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -124.75 149.94 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.96 -38.53 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.31 111.082 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.54 111.087 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.8 m -76.89 -35.44 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.25 111.137 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.84 -40.25 96.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.28 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.22 110.908 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -66.59 -31.62 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' THR . 86.7 t -56.46 -52.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.118 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.7 p90 -73.56 -30.09 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.894 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -66.1 -52.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.896 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.57 -46.99 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 64.32 110.937 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.576 ' N ' HE21 ' A' ' 32' ' ' GLN . 45.0 t80 -55.14 -40.82 71.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.93 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.65 -46.04 55.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 50.55 111.116 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.32 -45.66 90.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.0 -33.48 68.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.903 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -78.73 -7.13 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.11 23.03 50.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 54' ' ' VAL . 93.2 t -65.79 119.2 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 75.21 111.112 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -127.53 142.04 51.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.846 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.04 -140.47 8.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 75.42 112.447 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -111.12 138.49 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 74.12 110.88 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -105.88 137.24 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 74.3 110.935 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.55 143.99 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 54.1 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -134.41 113.27 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.21 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -111.49 98.88 7.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -13.85 59.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.852 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.55 -45.93 60.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 51' ' ' THR . 35.4 p -111.72 6.1 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.097 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 48.94 42.68 20.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.4 t -126.0 138.91 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 73.02 111.127 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -113.57 156.57 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.616 HG22 ' HB ' ' A' ' 6' ' ' ILE . 18.2 p -145.88 155.0 42.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.154 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.746 HG21 ' CG1' ' A' ' 39' ' ' VAL . 6.3 p -126.56 134.36 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.161 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.724 HG22 ' HB3' ' A' ' 8' ' ' ASN . 38.2 p -124.08 119.68 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 73.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 75.04 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 4.1 p90 -109.03 162.28 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.953 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.5 ttmt -114.55 137.23 52.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 54.11 110.898 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 6' ' ' ILE . 1.4 tm? -96.86 133.69 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.902 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 5' ' ' LEU . 5.2 mp -116.99 118.92 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 61.02 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.702 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.1 mt -97.92 129.73 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.896 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.93 68.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.872 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.91 37.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 40.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -81.77 -42.13 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 63.22 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -117.61 5.1 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 52.51 111.158 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.46 139.05 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 72.54 110.917 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -141.83 150.94 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.906 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.94 175.63 46.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 65.35 112.523 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -150.1 139.02 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 51.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.49 159.49 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.05 111.151 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 4' ' ' LYS . 20.3 p -131.55 146.68 52.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 61.23 111.141 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.61 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.4 t -145.74 145.84 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 61.22 111.153 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.05 135.0 46.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -134.89 162.62 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.097 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.4 -16.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -135.1 149.3 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.873 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.75 -40.63 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.15 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.01 98.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.12 111.065 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.0 m -77.48 -32.39 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.147 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.693 ' HB1' ' CZ ' ' A' ' 3' ' ' TYR . . . -59.12 -45.78 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.115 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.13 -37.01 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -60.75 -35.85 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' THR . 86.0 t -56.23 -50.29 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 75.34 111.142 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 14.1 m-85 -68.58 -38.53 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.878 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -49.04 78.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.894 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -75.3 -47.01 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.593 ' N ' HE21 ' A' ' 32' ' ' GLN . 65.5 t80 -56.77 -45.27 82.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.878 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.54 -47.23 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 43.34 111.11 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -60.81 -32.54 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.52 -20.93 34.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -100.71 -3.63 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.82 24.5 72.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 70.43 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.3 p -64.6 138.23 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -128.57 141.22 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.33 10.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 54.12 112.474 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.21 148.21 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 72.42 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -112.81 151.65 30.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.05 144.05 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.164 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.19 114.29 13.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.908 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.61 99.56 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 62.14 110.814 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.21 -13.15 57.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.62 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 63.44 111.088 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.526 HG23 HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -112.7 -4.49 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.125 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 55.58 22.7 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.903 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 49' ' ' THR . 5.6 t -90.38 139.5 30.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 55.03 111.161 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.56 142.31 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.87 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.586 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -145.55 155.09 42.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 74.12 111.132 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -141.0 118.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.24 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -102.4 141.13 35.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.167 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.844 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.331 . . . . 74.41 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.698 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 41.9 p90 -109.29 160.2 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 61.25 110.935 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -116.22 135.55 53.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.96 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -107.71 123.99 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.878 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.51 117.56 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.076 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 65.51 110.881 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.07 67.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 52.43 110.852 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 167.37 48.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 60.23 112.492 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -81.97 -41.94 20.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.15 110.927 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -117.17 2.88 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 62.04 111.151 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.63 140.59 31.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.92 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.21 149.72 51.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.878 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.73 177.87 48.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 34.33 112.508 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -148.87 143.45 26.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 75.03 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.13 152.11 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 60.21 111.141 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.45 HG22 ' CG ' ' A' ' 4' ' ' LYS . 25.7 p -141.51 146.84 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.123 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 29' ' ' VAL . 14.6 t -145.43 145.67 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.122 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.34 125.1 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.15 158.33 32.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 50.15 111.09 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.83 -15.25 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 60.42 111.172 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.39 150.07 48.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.51 73.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.31 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.46 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 70.21 111.085 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.4 m -76.9 -31.88 57.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.134 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.778 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -70.88 -36.25 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 50.1 111.066 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -65.62 -48.68 71.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.878 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -31.1 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.54 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 25' ' ' THR . 68.8 t -56.7 -53.37 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.1 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.489 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.9 p90 -73.82 -29.96 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.839 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -49.24 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 65.12 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.589 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.46 -46.77 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.906 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.589 ' N ' HE21 ' A' ' 32' ' ' GLN . 48.3 t80 -55.88 -44.17 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.947 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.06 56.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.073 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -58.33 -45.29 88.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.6 -27.46 64.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.873 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.46 -4.32 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 60.32 110.933 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.75 23.63 72.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 63.21 112.491 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.26 127.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.23 111.126 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 141.9 51.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.85 -135.62 5.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 62.14 112.489 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.64 147.91 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 71.15 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -106.88 163.29 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 65.21 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.82 144.18 39.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 43.13 111.15 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.45 113.21 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.923 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.39 98.97 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.828 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.13 -14.33 60.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.84 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.77 -45.87 60.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.615 ' OG1' HG22 ' A' ' 51' ' ' THR . 24.8 p -111.72 7.85 20.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.03 111.12 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.64 33.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 70.22 110.892 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.615 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.9 t -119.17 138.9 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.33 111.163 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -105.41 165.72 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -146.33 154.96 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.144 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.9 p -146.11 118.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 54.53 111.156 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.5 m -110.42 130.97 55.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 54.3 111.154 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.779 0.323 . . . . 60.32 110.926 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.803 ' CE2' HG22 ' A' ' 18' ' ' THR . 0.1 OUTLIER -107.71 162.44 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 72.33 110.941 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -119.55 109.74 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.23 110.927 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.543 HD12 ' HE1' ' A' ' 3' ' ' TYR . 1.7 tt -99.18 133.36 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.939 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.98 132.58 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.54 111.111 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.8 mt -102.13 124.64 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.69 69.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.896 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 12' ' ' LEU . . . -82.77 165.49 44.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 52.45 112.488 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.82 -42.5 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.33 110.925 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.541 HG23 ' HG ' ' A' ' 12' ' ' LEU . 11.2 t -117.66 13.41 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 60.22 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -157.22 144.21 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.886 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -141.11 151.36 43.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.892 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.571 ' C ' HD12 ' A' ' 7' ' ' LEU . . . -179.96 177.42 48.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 75.41 112.532 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.6 133.85 38.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 65.41 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 134.28 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.15 111.143 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.682 HG22 ' HA ' ' A' ' 4' ' ' LYS . 26.8 p -141.45 147.32 37.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.138 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.803 HG22 ' CE2' ' A' ' 3' ' ' TYR . 6.1 t -144.79 147.59 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.14 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 121.22 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.907 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.68 145.31 48.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.114 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 t -88.63 -28.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 54.02 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.33 149.39 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 70.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.069 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 70.2 111.113 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.9 m -76.59 -32.71 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 71.05 111.124 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -61.25 -45.71 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 65.11 111.117 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -44.69 74.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.883 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -66.6 -38.06 86.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.3 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.701 ' CG1' HG21 ' A' ' 18' ' ' THR . 91.6 t -64.55 -36.77 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 51.2 111.137 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.771 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 7.8 m-30 -64.43 -51.29 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.824 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -35.69 73.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.863 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.61 -47.57 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.914 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.545 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.3 t80 -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.95 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -73.1 -47.04 47.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 62.11 111.082 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.18 -33.34 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.53 -21.79 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.33 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.53 -7.39 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.87 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.29 24.65 60.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 33.24 112.452 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.2 p -64.96 125.5 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 73.3 111.102 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -128.98 142.0 51.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.842 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.45 -140.15 8.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 54.23 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -103.18 148.34 25.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 71.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 39.0 m95 -115.17 137.25 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.91 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 144.02 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.22 111.121 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -135.95 113.46 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.928 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.8 98.43 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.7 -13.63 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 41.44 110.903 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.94 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 51' ' ' THR . 32.9 p -111.55 3.68 18.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 64.14 111.119 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 48.94 46.83 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.865 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.8 t -125.78 138.74 53.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.182 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.23 154.99 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.911 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -146.11 154.68 42.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 63.52 111.143 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 39' ' ' VAL . 12.8 p -138.77 130.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.128 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -110.96 120.94 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.135 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.9 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.819 0.342 . . . . 73.51 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' HE2' ' HB3' ' A' ' 26' ' ' ALA . 26.9 p90 -128.0 162.54 26.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.941 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -114.83 135.99 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.24 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.757 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.59 133.4 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.938 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.41 128.29 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.135 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.39 118.63 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.914 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 66.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.0 165.28 50.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.8 -41.95 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 63.02 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -117.16 13.19 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.3 111.157 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.99 141.99 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -140.2 149.72 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.75 177.48 48.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 71.34 112.475 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -150.79 132.97 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 53.04 110.851 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.93 150.82 49.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 60.42 111.173 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.8 p -126.81 147.25 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.04 111.198 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HE2' ' A' ' 30' ' ' PHE . 9.3 t -141.63 143.29 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 73.15 111.133 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -104.73 121.93 44.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -151.79 147.98 27.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.06 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.6 -23.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 51.51 111.116 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 149.44 50.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -24.85 61.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 60.14 111.05 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.36 83.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 62.21 111.058 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.0 m -70.51 -42.04 71.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.166 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.21 -38.11 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.052 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.39 -51.91 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.04 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -37.82 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 25' ' ' THR . 77.7 t -59.93 -48.81 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.757 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.2 m-85 -71.78 -41.79 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.837 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -42.9 72.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.579 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.34 -46.98 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.942 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.579 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.1 t80 -57.63 -42.81 84.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.45 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.11 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.9 -45.25 82.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.895 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.96 -33.63 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.925 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.45 -1.17 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.92 22.9 67.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.505 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.0 119.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 64.02 111.161 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.26 149.94 49.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.13 -154.06 25.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 54.02 112.46 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -99.93 129.63 46.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 73.41 110.904 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 39.3 m95 -102.45 136.7 41.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.02 144.07 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 72.45 111.152 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.67 113.05 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 9.1 t70 -121.53 99.53 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 60.44 110.914 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -65.35 -12.69 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -70.68 -46.33 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 54.02 111.089 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -112.17 0.18 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 49.99 49.4 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.92 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -121.14 139.2 53.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.12 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -119.3 142.66 47.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.918 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -147.6 154.79 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.51 111.177 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.46 134.64 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.115 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -124.13 120.2 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 64.33 110.943 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -109.21 155.17 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -116.29 135.59 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 60.22 110.922 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -110.03 133.3 53.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 61.32 110.935 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -109.45 120.62 61.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.54 111.138 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD13 ' CG1' ' A' ' 54' ' ' VAL . 3.1 mm? -97.63 117.36 31.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.946 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.1 65.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 53.32 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 146.59 17.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.23 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -82.73 -19.63 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 70.33 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.5 p -99.42 -20.06 16.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.135 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.44 143.54 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 61.34 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 148.42 52.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.17 179.16 48.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.483 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.83 133.02 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.52 110.911 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.2 51.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.127 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -146.92 147.08 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.17 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.58 ' CB ' HG11 ' A' ' 29' ' ' VAL . 7.8 t -144.8 145.16 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.1 111.17 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.85 122.84 46.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.845 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.067 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.48 154.47 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.03 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 t -86.92 -19.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 52.1 111.111 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.03 149.33 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.871 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.14 66.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.19 96.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 41.41 111.068 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.0 m -76.74 -40.53 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.24 111.135 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.22 -38.67 82.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.33 111.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 tt0 -61.02 -39.82 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 53.4 110.872 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -66.63 -32.42 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CB ' ' A' ' 18' ' ' THR . 91.6 t -55.9 -52.84 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.121 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -73.48 -30.12 62.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 70.1 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -45.62 81.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.918 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.561 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.13 -45.04 51.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 54.53 110.914 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.561 ' N ' HE21 ' A' ' 32' ' ' GLN . 6.1 t80 -60.8 -41.53 95.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.68 -46.29 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 64.15 111.03 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -62.41 -43.53 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.92 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.13 -24.81 63.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.854 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.01 -7.0 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 54.21 110.907 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.9 23.41 66.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.521 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.34 130.87 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 74.55 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -127.84 137.62 52.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.53 -132.98 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 45.25 112.519 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -128.13 148.24 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 74.3 110.913 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 74.5 m95 -107.74 137.22 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.944 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.522 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.83 150.86 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 41.23 111.138 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.35 113.32 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.921 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -102.02 99.14 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 65.54 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.93 -14.06 58.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 52.25 110.868 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.32 -45.68 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 60.24 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.7 p -111.42 6.36 20.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 60.51 111.148 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 49.3 42.13 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.919 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.4 t -125.91 139.05 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.2 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -105.17 155.68 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.6 t -146.31 155.02 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 71.02 111.117 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.633 ' CG1' HD13 ' A' ' 7' ' ' LEU . 5.8 p -132.72 118.01 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.141 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 m -111.01 136.33 50.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.149 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 64.4 110.883 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.804 0.335 . . . . 71.33 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.69 158.92 22.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 52.14 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.8 136.68 53.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 71.25 110.886 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.06 132.95 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.922 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.637 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.7 mp -104.11 115.81 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 72.24 111.128 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD23 ' CG1' ' A' ' 54' ' ' VAL . 9.9 mt -98.05 111.46 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 70.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.94 68.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 61.51 110.928 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 149.57 23.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 75.24 112.499 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -81.45 -22.61 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 74.24 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.812 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.3 t -107.88 -19.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 62.41 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.812 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -151.97 143.82 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 64.44 110.927 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -128.6 149.95 50.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.933 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.88 177.21 47.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 65.54 112.48 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 157.81 45.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 61.34 110.88 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.06 163.46 32.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.092 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.56 147.27 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.142 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.9 m -144.85 144.64 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.141 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.04 122.89 46.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.65 153.66 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.129 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.61 -17.05 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.16 157.61 44.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.95 61.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 63.35 111.052 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.94 90.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 45.43 111.155 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.4 m -76.51 -36.3 57.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.4 111.136 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.2 75.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 44.03 111.126 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.72 -50.74 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -60.57 -43.41 97.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 65.22 110.85 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 25' ' ' THR . 76.0 t -64.98 -47.07 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 71.32 111.156 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-85 -62.03 -48.75 78.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -33.75 76.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.473 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.78 -47.27 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.934 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.473 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.1 t80 -71.05 -29.7 65.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.959 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.88 -47.42 46.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 65.45 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -34.24 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.83 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.92 -21.68 58.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.9 -7.52 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.2 24.09 59.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 75.34 112.514 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.641 HG11 ' HB1' ' A' ' 34' ' ' ALA . 13.0 p -65.13 130.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 74.12 111.149 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -127.7 146.83 50.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 70.24 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.19 -133.49 4.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.488 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.73 147.95 45.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 71.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -118.08 136.95 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.59 143.98 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 44.12 111.162 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -136.88 113.5 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -101.33 99.27 9.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 72.45 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.14 -13.09 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 64.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.49 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 55.4 111.106 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -112.09 5.83 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.154 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 49.13 46.64 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 51.35 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.55 139.49 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 53.3 111.162 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -105.99 155.89 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.34 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.637 HG23 ' HB ' ' A' ' 6' ' ' ILE . 5.4 m -145.96 155.2 42.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 64.15 111.166 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.694 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.6 p -146.16 118.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.171 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -117.41 140.75 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 62.45 111.13 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' OE2' HG23 ' A' ' 39' ' ' VAL . 18.9 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 63.14 110.896 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 54.1 110.929 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.608 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 34.2 p90 -109.14 162.81 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.934 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -113.23 136.57 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.946 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -97.39 133.49 41.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.954 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -123.32 111.52 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.42 111.14 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.7 mm? -100.14 112.28 24.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.89 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.99 66.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 53.21 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.94 162.63 54.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 42.42 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.1 -42.86 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 75.45 110.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -117.82 14.86 14.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.43 111.184 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.2 142.36 17.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 51.23 110.917 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -136.45 149.74 48.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.91 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.88 178.01 48.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 73.03 112.468 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.64 143.19 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 60.13 110.863 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.434 HG23 ' CB ' ' A' ' 5' ' ' LEU . 3.7 t -137.06 143.9 42.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 50.14 111.114 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -127.58 145.14 50.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.147 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -147.1 146.17 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.161 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -103.59 121.79 43.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.63 150.46 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 43.21 111.09 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.0 -22.29 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 64.42 111.138 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.58 149.76 52.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 54.44 110.857 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.36 -38.38 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 75.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.36 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.069 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.5 m -76.88 -33.23 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.171 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.67 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.071 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tt0 -66.58 -44.86 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.885 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -56.27 -53.31 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 61.42 111.118 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.0 p90 -73.93 -30.01 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.96 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.903 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.29 -46.48 40.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.902 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.582 ' N ' HE21 ' A' ' 32' ' ' GLN . 52.5 t80 -55.36 -41.85 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.938 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.49 -45.64 58.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 61.32 111.086 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.52 -46.39 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.866 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.78 -29.05 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 73.41 110.859 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.57 -3.27 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.856 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.01 61.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 33.41 112.502 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 54' ' ' VAL . 86.1 t -65.62 119.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 70.23 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.29 141.79 51.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.87 -142.92 9.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 42.44 112.478 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -114.36 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 74.03 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.8 162.84 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.957 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -146.52 155.47 42.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 71.25 111.196 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -137.28 113.15 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.927 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.31 98.17 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.857 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.01 -13.95 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.86 -46.84 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.096 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.601 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.3 p -112.18 6.82 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 60.32 111.108 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.55 34.63 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 60.21 110.923 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.601 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.5 t -118.27 139.28 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.134 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -109.36 160.44 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -146.21 147.56 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.1 111.168 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 p -133.91 118.2 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.44 111.124 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -97.62 114.22 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 75.2 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.903 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.758 0.313 . . . . 71.34 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.86 147.77 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.9 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -111.55 154.82 24.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.939 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -116.47 135.29 53.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.884 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -101.9 133.1 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.81 119.64 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 63.2 111.143 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 4.4 mt -98.31 123.8 42.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.897 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.41 68.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.71 168.5 49.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 74.22 112.486 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -41.98 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 65.44 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.17 -1.24 11.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.04 111.157 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.31 139.23 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.89 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -141.64 149.93 41.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.933 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.97 177.27 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 54.01 112.455 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.1 133.57 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.976 0.417 . . . . 74.33 110.891 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.44 155.55 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 54.42 111.132 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' CG ' ' A' ' 4' ' ' LYS . 20.1 p -139.58 153.58 47.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.169 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.718 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.5 t -144.57 144.77 31.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 62.53 111.17 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.07 123.08 47.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -140.6 148.8 41.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.089 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.57 -23.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 72.23 111.119 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.2 150.02 47.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.884 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -35.16 69.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 63.45 111.124 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.89 83.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 52.52 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.1 m -76.05 -44.64 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.123 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.8 -45.29 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 62.21 111.091 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -67.34 -37.24 82.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.44 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -64.58 -42.11 95.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 62.04 110.935 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 25' ' ' THR . 93.3 t -63.44 -39.25 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.162 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CZ ' HG22 ' A' ' 18' ' ' THR . 12.2 m-85 -67.84 -52.48 36.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.896 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 43.15 110.887 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.546 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.69 -46.86 62.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 55.45 110.851 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' N ' HE21 ' A' ' 32' ' ' GLN . 76.7 t80 -65.81 -38.96 90.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.962 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.42 -45.96 57.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 44.34 111.159 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 43.43 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -58.97 -25.62 63.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.841 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.79 -7.28 58.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 53.12 110.881 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.56 23.05 63.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.31 112.479 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.54 130.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 73.12 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.17 142.67 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.839 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.25 -136.29 5.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 74.21 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -120.15 147.7 44.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.335 . . . . 73.13 110.898 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -119.85 137.2 54.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.585 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.17 144.95 43.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 62.22 111.157 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -133.29 113.29 12.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 70.32 110.908 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -108.1 99.11 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.33 110.889 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.11 -14.0 59.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 60.5 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.27 -45.35 63.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.5 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.5 ' OG1' HG22 ' A' ' 51' ' ' THR . 27.2 p -111.13 5.68 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.127 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 49.47 42.88 23.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.9 t -125.3 138.88 54.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.17 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.21 155.57 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 70.22 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.585 HG22 ' HB ' ' A' ' 44' ' ' THR . 13.0 t -146.12 154.73 42.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 63.21 111.147 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.2 p -134.17 121.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 25.23 111.124 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.3 m -114.11 141.17 47.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.12 111.125 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 62.43 110.866 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.714 0.292 . . . . 60.34 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 140.78 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -113.7 159.2 19.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.896 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -124.4 135.42 53.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 42.25 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.65 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -98.0 130.35 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 51.24 110.922 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.8 mp -111.79 126.77 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.061 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.9 mt -103.01 119.92 39.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 64.22 110.909 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 69.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.32 110.865 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.9 164.85 45.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 64.23 112.44 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -41.71 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 74.24 110.865 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -117.12 15.35 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.133 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.79 140.16 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.902 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.1 150.03 42.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.926 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.97 177.35 47.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.689 -0.767 . . . . 72.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -145.68 156.44 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 75.42 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.32 162.68 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 61.54 111.163 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -142.16 147.58 36.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 55.31 111.138 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.428 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 15.3 t -144.62 144.68 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.152 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -106.53 122.98 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 74.34 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.6 146.0 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 74.25 111.127 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.65 -25.17 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.43 111.106 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -125.15 150.08 47.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 72.05 110.852 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -36.59 70.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.11 111.082 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.78 80.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.08 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.5 m -73.78 -41.92 61.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 53.23 111.147 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.11 -45.17 74.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 73.12 111.118 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.76 -39.39 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -65.58 -38.82 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -64.94 -36.59 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.139 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.65 ' CG ' HD23 ' A' ' 5' ' ' LEU . 17.8 m-85 -65.0 -52.5 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.42 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -36.53 80.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.41 110.89 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.75 -46.93 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.918 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.54 ' N ' HE21 ' A' ' 32' ' ' GLN . 42.2 t80 -65.61 -37.97 88.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 72.02 110.93 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.37 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 34.33 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -58.55 -46.13 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 51.03 110.88 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.98 -26.24 65.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 61.51 110.838 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -7.13 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 55.41 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.92 22.9 70.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 71.11 112.514 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -66.14 119.43 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 63.44 111.118 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -127.15 143.78 51.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 70.33 110.86 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.69 -134.66 4.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 71.15 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.26 137.73 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 73.12 110.864 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 59.7 m95 -114.35 137.05 52.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 145.9 40.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 70.42 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -133.38 113.23 12.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.937 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -112.73 99.0 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.059 -0.519 . . . . 74.32 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -65.18 -14.01 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.877 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.49 -45.62 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 75.31 111.088 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' HG22 ' A' ' 51' ' ' THR . 26.7 p -111.35 6.25 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.121 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.65 33.05 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.939 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.2 t -112.91 139.04 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.54 111.083 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.06 153.76 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.882 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -146.13 154.73 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.12 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.454 ' CG1' HD23 ' A' ' 7' ' ' LEU . 6.3 p -133.23 121.25 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.147 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.0 m -111.3 141.12 45.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 60.3 111.14 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.45 110.886 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.722 0.296 . . . . 74.51 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.93 147.91 34.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 5.6 p90 -128.01 158.5 37.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.949 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 17' ' ' THR . 6.4 pttt -116.35 135.64 53.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 61.41 110.88 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.88 133.49 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 55.42 110.913 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.68 122.01 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.21 111.137 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -98.13 117.38 32.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 34.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.3 68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.92 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.89 170.65 55.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 70.15 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -81.83 -42.2 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 71.52 110.877 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -117.53 2.44 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.24 111.121 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 141.67 31.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.913 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -141.71 149.91 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.848 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.36 47.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 45.25 112.513 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -148.72 150.03 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.396 . . . . 74.12 110.917 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.6 162.86 36.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 71.21 111.157 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.633 HG22 ' CB ' ' A' ' 4' ' ' LYS . 21.5 p -137.04 147.44 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.12 111.158 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -142.5 144.81 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.54 111.169 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -104.82 122.78 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.923 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.856 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -136.69 148.85 47.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 62.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.9 p -80.61 -23.68 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 75.23 111.086 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.29 149.94 49.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.898 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.99 80.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.51 111.117 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.8 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 m -77.09 -32.7 56.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.123 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -66.68 -46.04 76.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.13 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -67.66 -36.79 81.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.04 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -38.87 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 71.03 110.876 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 25' ' ' THR . 99.7 t -58.37 -49.78 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 61.14 111.144 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -72.19 -39.94 68.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -44.06 69.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.563 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -72.25 -47.03 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 62.35 110.91 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.563 ' N ' HE21 ' A' ' 32' ' ' GLN . 31.8 t80 -57.23 -40.17 77.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.911 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.36 -42.52 65.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 62.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -63.58 -46.34 86.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 54.15 110.867 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.77 -29.96 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.902 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -81.66 -7.24 59.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.866 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.91 22.95 56.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 73.03 112.456 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 34' ' ' ALA . 86.9 t -65.95 119.34 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 73.15 111.113 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -127.08 144.54 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.64 -139.25 7.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 74.31 112.463 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.41 147.81 38.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 50.22 110.894 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.567 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 52.0 m95 -115.07 137.14 52.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.939 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 143.96 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 44.4 111.152 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -138.09 114.22 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.934 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -111.4 99.48 8.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.864 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.81 -13.98 57.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.896 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.28 -45.35 63.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 71.43 111.075 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 51' ' ' THR . 38.6 p -111.31 5.58 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 74.43 111.132 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 49.37 44.42 23.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 ' OG1' ' A' ' 49' ' ' THR . 13.0 t -126.01 139.51 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.125 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -104.75 161.33 14.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -145.93 154.65 42.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 72.14 111.085 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -145.8 120.45 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.149 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.1 m -111.98 141.24 45.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 54.31 111.121 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.34 110.871 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.754 0.311 . . . . 73.44 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.56 137.47 38.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.2 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -110.26 159.6 17.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.24 130.0 52.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 75.33 110.858 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.744 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -98.18 131.37 44.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.936 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.09 123.61 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.147 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.527 HD13 HG13 ' A' ' 54' ' ' VAL . 2.4 mm? -98.01 118.5 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.899 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.93 66.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.902 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.46 45.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.491 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -42.34 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 72.1 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -117.87 14.77 14.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 74.52 111.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -157.07 142.15 17.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 71.33 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -140.78 149.69 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 60.33 110.887 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.1 178.29 45.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.489 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.43 132.79 16.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 73.42 110.924 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.45 149.23 52.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 74.22 111.186 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -140.71 147.45 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.21 111.152 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.49 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.5 t -144.71 144.82 31.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.142 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.01 122.92 46.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.89 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.17 154.16 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.55 -18.64 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 111.109 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.26 150.05 37.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.882 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.08 -26.76 62.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 71.53 111.062 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.04 96.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.1 111.102 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 m -73.46 -44.66 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.01 111.133 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.89 92.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.104 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -53.29 -40.47 64.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -66.08 -38.82 89.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.24 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG12 ' CD2' ' A' ' 33' ' ' TYR . 21.8 t -69.89 -39.71 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.113 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.744 ' CD2' HD12 ' A' ' 5' ' ' LEU . 21.9 m-85 -62.13 -52.47 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.884 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -40.23 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.573 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.98 -47.09 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 63.42 110.875 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.593 ' CD2' HG12 ' A' ' 29' ' ' VAL . 1.3 m-85 -58.16 -42.0 85.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.03 110.935 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.43 59.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.106 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -58.36 -37.67 75.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.04 110.891 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -66.94 -23.99 66.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 -7.37 42.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 55.32 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.13 23.24 74.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 61.43 112.492 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -65.66 119.06 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 61.14 111.107 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.33 150.18 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 41.2 110.891 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.53 -125.54 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 51.43 112.46 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -120.25 147.78 44.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 75.41 110.886 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -122.12 137.2 54.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.932 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.22 144.18 45.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 44.3 111.13 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.57 113.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -106.84 99.34 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 73.4 110.88 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.65 -14.55 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.851 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.58 -44.75 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 61.22 111.075 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.605 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.0 p -110.96 7.57 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 60.34 111.107 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.96 31.71 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.927 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.605 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.95 138.9 50.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 62.31 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 165.78 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.21 110.858 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -144.45 154.73 43.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 72.33 111.16 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 HD13 ' A' ' 7' ' ' LEU . 6.0 p -146.07 121.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -116.23 141.24 48.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.12 111.159 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 65.54 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.711 0.291 . . . . 72.44 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.92 147.92 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 54.23 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.29 156.62 19.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 55.15 110.916 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -123.65 135.49 53.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 70.33 110.913 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tt -103.32 133.15 48.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 54.1 110.921 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.1 mp -106.45 116.85 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.129 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.823 HD23 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -103.99 126.95 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 71.01 110.904 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.72 68.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.61 149.2 29.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 74.03 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -79.85 -22.27 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 72.15 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.793 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.5 t -106.43 -19.3 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.162 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.793 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -156.9 143.76 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.24 110.9 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -127.44 149.99 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -179.99 177.33 47.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 34.12 112.517 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 154.28 46.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 75.15 110.908 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 p -141.89 161.62 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.15 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.51 147.31 28.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 71.21 111.136 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.681 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.8 t -144.79 145.2 31.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.119 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 122.82 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.98 156.07 44.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 61.01 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.2 p -77.59 -16.36 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.55 111.174 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 161.93 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.847 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.9 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.2 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.5 m -74.93 -36.2 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.3 111.158 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 -38.28 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 64.15 111.068 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -50.82 69.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.15 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -60.78 -43.06 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.922 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' THR . 77.8 t -67.05 -39.94 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.124 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 18' ' ' THR . 6.0 m-85 -69.41 -44.38 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 72.02 110.907 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -40.34 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 72.43 110.902 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.88 -47.05 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 55.14 110.931 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' N ' HE21 ' A' ' 32' ' ' GLN . 69.7 t80 -63.23 -40.69 98.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.3 110.972 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.67 -46.08 55.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.1 111.093 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.71 -44.93 93.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 71.41 110.913 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.21 -24.15 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -7.23 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.897 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.67 23.21 62.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.468 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.0 p -65.44 128.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 74.42 111.112 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -127.34 142.5 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.86 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.78 -135.69 5.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 72.42 112.494 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -118.26 147.78 43.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 71.32 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 40.8 m95 -118.74 137.17 53.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.916 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.61 144.17 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 43.11 111.134 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -134.43 113.29 11.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -108.02 99.38 8.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 62.54 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -64.84 -14.28 58.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.842 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.52 -45.07 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 65.55 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.602 ' OG1' HG22 ' A' ' 51' ' ' THR . 22.9 p -110.98 7.38 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.44 111.163 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.89 31.77 4.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 70.34 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.602 HG22 ' OG1' ' A' ' 49' ' ' THR . 7.8 t -115.28 138.92 50.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.173 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -105.22 165.82 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.856 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.87 154.05 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 42.44 111.138 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.823 HG11 HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.1 120.41 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 31.32 111.117 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.6 m -122.87 141.13 52.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.187 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 72.11 110.908 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HG2' ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.717 0.294 . . . . 70.53 110.829 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.2 135.25 33.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.15 110.93 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.633 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 12.5 p90 -128.1 160.36 32.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -115.91 135.36 54.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.897 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -98.23 133.98 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.922 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.63 124.05 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.35 111.089 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.76 126.85 43.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 52.03 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -123.11 68.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.88 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.07 170.69 55.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 14.02 112.52 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -42.61 20.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 74.22 110.887 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.558 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.3 t -118.12 -1.06 11.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.53 111.12 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.64 142.11 41.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 41.21 110.911 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -140.38 149.29 42.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 41.34 110.932 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.41 177.5 47.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 55.53 112.482 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -142.81 156.25 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 73.31 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.88 163.52 34.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.11 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.86 159.43 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.159 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.4 m -145.25 142.35 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 73.11 111.161 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.6 122.71 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.862 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.938 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -159.24 150.55 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.102 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' ' 1' ' ' MET . 12.0 p -84.25 -22.88 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.131 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.47 149.86 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.883 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.94 -38.19 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.35 111.124 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.16 -35.93 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 51.2 111.092 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.9 m -76.94 -34.77 57.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.149 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.938 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -65.9 -45.76 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 55.44 111.036 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.7 -36.73 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.902 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.3 -37.02 79.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.902 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 25' ' ' THR . 34.3 t -56.92 -51.17 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -73.05 -39.13 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.886 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -46.0 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.897 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.578 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -71.57 -46.83 58.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 71.54 110.934 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.578 ' N ' HE21 ' A' ' 32' ' ' GLN . 18.0 t80 -56.82 -40.19 75.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.917 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -71.17 -45.86 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 74.52 111.072 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -61.48 -46.32 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 75.44 110.884 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.66 -31.48 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.03 -7.09 59.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.21 110.845 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.7 22.99 57.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 62.11 112.469 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' OE2' ' A' ' 56' ' ' GLU . 58.5 t -65.76 125.35 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 71.33 111.119 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -124.02 142.47 51.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.48 -156.21 26.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 41.44 112.513 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -106.26 132.68 52.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 71.32 110.883 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 74.8 m95 -106.39 163.15 13.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.927 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -142.91 155.72 44.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.3 111.126 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -139.18 113.45 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.94 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -122.36 97.51 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.862 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.9 -13.42 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.838 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.52 59.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 ' OG1' HG22 ' A' ' 51' ' ' THR . 67.0 p -112.02 2.33 16.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.444 . . . . 64.31 111.11 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 mptt 47.73 37.33 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.472 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.4 t -113.39 139.31 49.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.122 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD12 ' A' ' 5' ' ' LEU . 26.2 m-85 -117.29 153.62 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.896 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 74.14 111.116 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.8 p -137.06 118.28 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.095 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 8' ' ' ASN . 53.1 p -104.41 129.36 52.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 52.11 111.101 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.588 ' OE2' HG13 ' A' ' 39' ' ' VAL . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.836 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.71 0.291 . . . . 72.41 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.93 147.54 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.941 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -111.02 142.76 42.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.923 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -116.43 129.5 56.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -98.15 131.91 44.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.901 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.2 mp -117.44 112.06 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.182 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -99.09 123.64 43.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.883 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.74 68.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.891 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.47 162.9 51.28 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.755 -0.735 . . . . 74.02 112.528 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -41.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 74.14 110.93 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -117.21 5.71 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 63.32 111.158 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.13 138.31 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -141.71 150.03 41.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.884 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.99 177.33 47.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.716 -0.754 . . . . 53.04 112.496 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -149.66 140.3 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.943 0.401 . . . . 65.44 110.945 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.24 160.04 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.172 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 t -144.07 149.13 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.678 HG22 ' CE2' ' A' ' 30' ' ' PHE . 14.6 t -144.72 144.75 31.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.119 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -104.95 123.02 47.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.924 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.967 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.05 154.77 48.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.132 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -77.5 -18.17 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.103 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.16 150.05 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.882 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -71.88 -38.49 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.05 111.076 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.04 -40.94 74.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 61.32 111.121 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.0 m -63.92 -42.61 97.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.169 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.967 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.6 -45.36 75.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 54.14 111.108 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -37.41 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -61.16 -38.75 87.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.89 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 25' ' ' THR . 99.9 t -59.47 -47.3 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 42.54 111.142 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.678 ' CE2' HG22 ' A' ' 18' ' ' THR . 16.8 m-85 -62.12 -52.51 63.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.868 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -39.71 84.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 75.33 110.907 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.484 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -63.62 -47.19 82.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 70.52 110.898 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.2 t80 -70.7 -28.36 64.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -68.54 -48.06 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 61.31 111.131 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -66.22 -34.67 78.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.919 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.12 -21.2 58.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.878 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -7.62 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.861 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.66 23.81 59.5 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 62.34 112.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.3 p -65.28 134.15 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 74.3 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -126.73 142.32 51.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.842 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.45 -135.43 4.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 44.04 112.484 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 147.77 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 74.21 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.483 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 64.3 m95 -112.07 137.11 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.54 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.05 149.14 37.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.122 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -133.45 113.36 12.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.93 99.36 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 62.34 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -64.86 -14.11 58.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 65.24 110.887 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.53 62.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.125 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 51' ' ' THR . 42.6 p -111.3 6.31 20.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.154 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 49.35 42.11 21.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.905 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.566 HG22 ' OG1' ' A' ' 49' ' ' THR . 10.0 t -126.08 139.04 53.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 62.54 111.131 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.12 158.7 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 6' ' ' ILE . 26.0 p -146.18 154.83 42.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.158 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.771 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.8 p -131.89 119.27 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 43.44 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' ASN . 96.7 m -114.12 141.1 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.51 111.168 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' CD ' HG23 ' A' ' 39' ' ' VAL . 15.7 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.864 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.293 . . . . 71.45 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 146.4 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.894 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -109.27 160.04 16.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.93 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -123.63 135.56 54.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.912 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD21 ' HZ3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -97.47 124.78 41.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 43.11 110.964 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -101.81 111.88 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.102 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD23 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -100.69 135.56 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 32.44 110.953 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -124.48 80.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.859 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.99 152.27 34.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.5 112.502 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -82.18 -20.7 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 75.32 110.882 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.741 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.1 t -108.86 -19.94 13.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 71.45 111.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.741 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -157.64 143.88 17.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.51 110.927 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -109.93 148.57 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.924 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.72 178.23 47.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 64.21 112.497 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.17 150.79 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 75.23 110.887 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.494 ' OG1' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.76 128.74 48.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.107 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 t -122.19 147.07 46.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 30' ' ' PHE . 14.7 t -145.11 145.93 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.152 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.54 122.31 44.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 74.31 110.911 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 153.22 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 55.14 111.095 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.59 -19.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.133 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.2 150.16 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.857 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.64 69.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.14 111.077 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.68 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 65.43 111.113 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.732 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -68.35 -41.03 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.176 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.26 90.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.25 111.122 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -59.53 -42.55 92.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.44 110.899 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -66.32 -38.8 88.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 72.02 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -61.85 -38.71 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.03 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 18' ' ' THR . 25.7 m-85 -65.42 -52.51 52.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -43.03 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 70.23 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.542 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.0 -46.85 79.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.12 110.931 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.542 ' N ' HE21 ' A' ' 32' ' ' GLN . 28.5 t80 -64.1 -38.3 90.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.934 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.17 66.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 23.41 111.098 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.37 -45.92 87.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -64.68 -26.48 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.864 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -81.85 -7.28 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.94 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.89 74.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 64.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 37' ' ' ASN . 25.0 t -65.77 119.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 72.31 111.09 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -127.22 145.38 50.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 61.45 110.884 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.57 -133.19 4.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 71.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -115.1 140.77 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.349 . . . . 62.23 110.868 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 41.8 m95 -115.34 137.28 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 74.23 110.874 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 145.63 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 75.22 111.157 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.34 113.33 12.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -105.3 99.01 8.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.04 -14.18 59.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.35 -45.19 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 33.11 111.125 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.58 ' OG1' HG22 ' A' ' 51' ' ' THR . 25.0 p -110.81 6.99 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.33 111.153 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 49.55 38.81 15.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.11 110.886 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.58 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.5 t -122.49 138.83 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.132 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' HD12 ' A' ' 6' ' ' ILE . 7.3 m-85 -105.33 162.82 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.12 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.9 m -146.0 150.85 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 70.33 111.153 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.772 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.9 p -146.18 120.56 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 62.12 111.108 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 8' ' ' ASN . 94.1 m -110.22 130.31 55.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.05 111.112 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.876 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.705 0.288 . . . . 75.54 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.14 149.05 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 64.41 110.891 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.621 ' CE1' HG23 ' A' ' 18' ' ' THR . 5.0 p90 -109.38 161.32 15.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.915 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -120.75 137.94 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.598 HD23 ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -96.21 123.88 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.95 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -106.03 118.15 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.132 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.5 126.52 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 54.51 110.91 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.92 68.93 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.888 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.34 168.26 50.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.46 -41.79 21.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 74.02 110.928 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.528 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.26 -0.12 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.14 111.138 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.25 139.23 40.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.908 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -141.65 150.19 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.906 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.92 177.38 48.03 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -146.29 139.51 25.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 73.43 110.88 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.43 147.14 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.23 111.143 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 p -123.9 146.81 48.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.14 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.621 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.9 t -145.52 144.94 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 72.44 111.131 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -107.33 136.41 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.856 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.24 155.3 50.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.088 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.77 -21.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.89 149.63 47.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.858 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.53 -39.77 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 42.11 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.84 98.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.116 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -77.44 -32.52 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.151 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.4 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 65.41 111.088 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -64.33 -36.33 83.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 55.5 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -60.31 -39.63 87.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 33' ' ' TYR . 25.4 t -64.0 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.138 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CE2' HD23 ' A' ' 5' ' ' LEU . 2.5 m-30 -65.1 -52.77 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 51.03 110.897 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -40.4 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.561 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -64.27 -47.05 81.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.891 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' N ' HE21 ' A' ' 32' ' ' GLN . 2.6 m-85 -61.7 -39.18 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.92 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -72.64 -46.21 55.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.512 . . . . 73.24 111.143 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -61.38 -46.33 90.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 72.55 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.06 -17.23 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 75.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -104.65 -8.05 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.906 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.66 24.33 72.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 73.23 112.502 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.571 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 21.6 t -64.54 118.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.53 111.131 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -128.64 141.93 51.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 73.52 110.869 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.5 -131.66 3.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.679 -0.772 . . . . 63.41 112.459 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -119.33 148.24 43.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.346 . . . . 63.52 110.881 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -110.82 137.16 48.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 75.4 110.972 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.466 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.87 149.84 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.43 111.13 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -133.32 113.81 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -104.11 98.9 8.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.41 110.849 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.15 -14.32 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.72 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.06 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.621 ' OG1' HG22 ' A' ' 51' ' ' THR . 23.7 p -111.43 8.49 21.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 72.42 111.139 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 33.01 4.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.86 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.621 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.6 t -121.06 139.14 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 74.52 111.185 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -111.2 161.6 15.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.89 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.3 t -147.09 155.03 41.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.119 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HG11 ' A' ' 39' ' ' VAL . 5.9 p -132.0 118.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.062 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.0 m -98.45 141.26 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.24 111.144 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 72.35 110.892 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 ptm . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.77 0.319 . . . . 54.2 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.05 148.59 32.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 8.6 p90 -123.43 160.83 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 71.14 110.892 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.36 136.53 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.91 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.42 133.21 42.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.14 110.945 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.772 ' HB ' HG23 ' A' ' 53' ' ' THR . 3.0 mp -107.21 126.39 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 14' ' ' GLY . 10.7 mt -104.27 111.54 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.902 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.61 68.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.55 167.03 46.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 60.14 112.454 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -81.61 -42.21 20.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 73.42 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.52 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.4 t -117.8 0.26 11.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 51.43 111.134 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -137.81 141.95 40.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.4 110.898 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -141.79 149.73 40.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.901 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.587 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.75 177.44 47.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 61.14 112.494 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -143.18 144.1 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 62.34 110.917 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.35 155.7 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 70.13 111.116 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 4' ' ' LYS . 6.1 p -139.71 146.59 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 71.43 111.096 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.496 HG22 ' CE2' ' A' ' 30' ' ' PHE . 9.9 t -145.76 146.68 31.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.86 122.29 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.873 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -142.56 159.45 42.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.073 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.48 -16.49 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 60.01 111.1 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.33 148.75 51.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.12 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -37.06 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.126 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.62 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 72.15 111.145 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.8 m -77.12 -32.81 56.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.23 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.745 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -72.2 -38.13 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.44 111.099 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -62.69 -49.19 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.945 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -58.92 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 60.21 110.922 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 25' ' ' THR . 72.5 t -56.75 -53.64 39.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.168 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' HG22 ' A' ' 18' ' ' THR . 4.4 m-85 -75.02 -31.61 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.32 110.889 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -42.42 97.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.896 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.48 -46.79 37.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.93 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.576 ' N ' HE21 ' A' ' 32' ' ' GLN . 3.2 t80 -60.87 -42.03 97.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.888 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.29 -46.21 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.44 111.07 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.26 -35.3 79.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.94 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.06 -30.24 66.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.13 -7.2 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.885 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.35 61.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 15.15 112.501 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.5 p -65.34 134.48 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 42.41 111.102 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -127.21 142.16 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 51.41 110.863 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.96 -138.85 5.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 60.11 112.465 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -123.38 147.79 46.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 61.41 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -118.02 139.47 51.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 64.53 110.914 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -113.4 155.47 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 60.31 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -145.65 113.45 6.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.9 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -119.06 98.59 6.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 73.35 110.863 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -13.51 59.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.875 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.69 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.131 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.4 p -111.39 2.71 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 70.25 111.151 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 49.05 47.46 21.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 t -125.84 139.09 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 65.02 111.148 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -115.5 155.99 26.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.861 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.772 HG23 ' HB ' ' A' ' 6' ' ' ILE . 1.8 m -145.97 154.64 42.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.154 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -139.52 118.3 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.119 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.6 m -120.83 133.34 55.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 70.01 110.924 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.72 0.295 . . . . 70.23 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 148.17 25.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.918 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.696 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 17.7 p90 -119.96 160.56 22.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 70.23 110.892 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -115.14 135.54 54.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.892 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.63 HD23 ' HE2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -107.31 129.77 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.912 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.46 125.14 63.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.17 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.01 115.05 27.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.908 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -112.93 66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.913 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.7 165.16 43.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 54.11 112.479 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -81.87 -42.16 19.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 62.12 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -117.59 15.5 14.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 75.2 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.99 141.83 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 50.51 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -141.53 149.94 41.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.88 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.68 178.42 47.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 30.43 112.518 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -148.8 133.15 17.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 65.44 110.819 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.88 156.37 49.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.123 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.15 155.02 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.1 m -145.45 143.58 30.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.138 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.33 129.17 56.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.895 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.924 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.01 156.42 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 63.41 111.103 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.52 -21.22 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.118 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.3 148.79 50.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.862 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.3 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 45.51 111.068 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.94 94.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 35.52 111.126 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.2 m -76.94 -39.23 51.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 45.41 111.156 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.924 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.88 -46.06 89.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.114 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.44 -36.89 82.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -60.26 -35.68 76.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 25' ' ' THR . 35.9 t -55.99 -51.55 59.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.14 111.145 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.25 -36.7 66.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.856 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.34 -53.81 53.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.581 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -67.98 -46.29 71.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.938 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.581 ' N ' HE21 ' A' ' 32' ' ' GLN . 19.5 t80 -58.41 -44.55 89.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.935 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.43 -46.3 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 75.34 111.051 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -59.11 -46.53 88.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 63.31 110.88 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.26 -23.89 62.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.839 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -4.23 56.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.897 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.1 23.46 74.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 61.11 112.459 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 ' HB1' ' A' ' 34' ' ' ALA . 12.6 p -65.24 138.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.35 . . . . 74.31 111.156 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.42 141.81 48.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 61.24 110.879 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.54 -156.49 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 73.21 112.463 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.42 138.81 52.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 75.31 110.886 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -102.97 137.04 41.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.924 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.59 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -116.89 143.85 45.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 52.25 111.157 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -133.26 113.26 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 65.42 110.956 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.4 99.11 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.838 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -13.61 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.873 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.11 62.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.21 111.101 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 51' ' ' THR . 77.9 p -111.79 3.11 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.04 111.179 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 49.07 47.71 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.907 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.5 t -126.12 139.03 53.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.442 . . . . 72.24 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' O ' HD22 ' A' ' 5' ' ' LEU . 9.9 m-85 -111.84 150.21 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.52 110.916 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.3 t -146.42 154.97 42.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 62.14 111.102 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 54' ' ' VAL . 6.0 p -133.59 120.34 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.115 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 8' ' ' ASN . 76.6 p -98.83 123.94 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 64.24 111.16 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.916 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.723 0.297 . . . . 75.24 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.65 137.87 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.886 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -109.38 159.99 16.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.938 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -125.72 135.46 52.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 75.12 110.889 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -100.16 133.06 45.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.931 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.42 128.59 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 61.2 111.144 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.28 111.47 23.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.916 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.28 70.12 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.881 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.71 168.9 46.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 63.25 112.449 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -42.07 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 64.21 110.887 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.561 HG23 ' HG ' ' A' ' 12' ' ' LEU . 8.8 t -117.46 -1.39 11.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 73.01 111.119 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.561 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.6 OUTLIER -137.21 142.02 42.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.892 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -140.85 149.79 42.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.86 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.76 177.4 47.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 53.44 112.485 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.34 157.57 45.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.387 . . . . 62.34 110.88 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.53 162.81 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 51.15 111.148 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 p -139.5 147.39 41.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.15 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.507 ' OG1' HG11 ' A' ' 29' ' ' VAL . 4.4 t -144.7 141.88 29.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.103 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.26 122.99 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.35 110.857 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.934 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.13 147.02 32.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 54.13 111.089 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 m -78.75 -24.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 70.1 111.147 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -117.78 150.14 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 52.15 110.897 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.82 -38.29 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.45 111.054 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.28 96.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.149 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.7 m -76.85 -35.65 57.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 62.13 111.172 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.934 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -67.11 -39.44 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.083 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.2 tt0 -67.24 -37.37 83.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.921 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -66.49 -32.03 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 25' ' ' THR . 94.9 t -55.99 -53.05 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 73.41 111.086 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -73.89 -29.96 62.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.852 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -48.37 72.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.877 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.579 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.36 -46.89 37.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.863 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.579 ' N ' HE21 ' A' ' 32' ' ' GLN . 73.5 t80 -56.39 -43.41 79.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.919 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.08 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 51.4 111.113 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.68 -45.43 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.83 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.66 -26.86 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -7.18 57.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.19 23.25 63.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 74.14 112.44 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.47 128.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 42.25 111.093 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -127.41 142.47 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.866 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.6 -130.87 3.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 62.15 112.501 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -128.35 147.88 50.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 74.22 110.857 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 70.4 m95 -108.77 137.1 47.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 74.02 110.971 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.468 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.32 149.21 36.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 73.15 111.146 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -133.28 113.51 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -102.06 99.43 9.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 71.42 110.849 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.86 -14.14 58.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.4 110.838 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -45.92 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 61.21 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.579 ' OG1' HG22 ' A' ' 51' ' ' THR . 28.0 p -111.73 7.38 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.02 111.161 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 49.2 40.57 18.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.89 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.8 t -126.07 139.07 53.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.158 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.59 157.95 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.871 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' HB ' ' A' ' 44' ' ' THR . 9.4 t -146.35 154.99 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 73.42 111.158 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 39' ' ' VAL . 6.0 p -128.39 120.41 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 52.21 111.122 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.9 m -100.36 141.17 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 62.31 111.15 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.88 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.706 0.288 . . . . 75.24 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -88.35 147.59 24.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.87 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -120.62 160.26 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 70.33 110.947 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.2 ttmt -116.18 135.45 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.843 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 30' ' ' PHE . 1.3 tp -115.72 133.12 56.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.34 110.892 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 53' ' ' THR . 5.2 mp -113.95 126.84 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.11 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -98.18 118.67 35.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.884 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.724 ' HB3' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -113.41 68.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.905 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.45 166.82 51.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 73.3 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -78.59 -42.06 30.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 72.34 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HG ' ' A' ' 12' ' ' LEU . 9.2 t -117.42 -0.79 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 65.44 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.7 OUTLIER -137.35 142.08 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 63.45 110.903 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.53 149.92 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.837 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.85 177.39 47.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 72.13 112.497 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -147.19 141.23 25.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.933 0.397 . . . . 65.42 110.897 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.35 162.77 34.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.24 111.128 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.4 p -141.12 151.26 43.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 64.12 111.176 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -144.65 144.72 31.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 63.32 111.142 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -105.17 133.63 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 72.11 110.882 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.35 148.0 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.119 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.39 -24.32 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.21 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -124.75 149.94 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.42 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.96 -38.53 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.31 111.082 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.54 111.087 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.8 m -76.89 -35.44 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.25 111.137 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.854 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.84 -40.25 96.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -67.28 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 53.22 110.908 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -66.59 -31.62 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' THR . 86.7 t -56.46 -52.8 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 73.1 111.118 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.7 p90 -73.56 -30.09 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.894 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -66.1 -52.31 49.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.896 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.576 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.57 -46.99 62.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 64.32 110.937 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.576 ' N ' HE21 ' A' ' 32' ' ' GLN . 45.0 t80 -55.14 -40.82 71.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.93 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.65 -46.04 55.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 50.55 111.116 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.32 -45.66 90.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.869 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.0 -33.48 68.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.903 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -78.73 -7.13 57.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.886 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.11 23.03 50.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.746 ' CG1' HG21 ' A' ' 54' ' ' VAL . 93.2 t -65.79 119.2 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 75.21 111.112 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -127.53 142.04 51.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.846 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.04 -140.47 8.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 75.42 112.447 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -111.12 138.49 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 74.12 110.88 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -105.88 137.24 44.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 74.3 110.935 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.55 143.99 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 54.1 111.124 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -134.41 113.27 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.21 110.931 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -111.49 98.88 7.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.879 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -13.85 59.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 72.3 110.852 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.55 -45.93 60.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.22 111.068 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.559 ' OG1' HG22 ' A' ' 51' ' ' THR . 35.4 p -111.72 6.1 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.097 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 48.94 42.68 20.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.874 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.559 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.4 t -126.0 138.91 53.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 73.02 111.127 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -113.57 156.57 23.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.616 HG22 ' HB ' ' A' ' 6' ' ' ILE . 18.2 p -145.88 155.0 42.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.154 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.746 HG21 ' CG1' ' A' ' 39' ' ' VAL . 6.3 p -126.56 134.36 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.161 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.724 HG22 ' HB3' ' A' ' 8' ' ' ASN . 38.2 p -124.08 119.68 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 73.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tmm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.735 0.302 . . . . 50.11 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.66 149.29 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.04 110.966 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 4.1 p90 -109.03 162.28 14.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.953 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.704 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.5 ttmt -114.55 137.23 52.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 54.11 110.898 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 6' ' ' ILE . 1.4 tm? -96.86 133.69 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 64.34 110.902 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 5' ' ' LEU . 5.2 mp -116.99 118.92 60.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 61.02 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.702 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.1 mt -97.92 129.73 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.896 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.93 68.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.872 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.91 37.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 40.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -81.77 -42.13 20.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 63.22 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.8 p -117.61 5.1 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 52.51 111.158 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.46 139.05 29.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 72.54 110.917 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -141.83 150.94 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.906 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' LEU . . . 179.94 175.63 46.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 65.35 112.523 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -150.1 139.02 20.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 51.23 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.49 159.49 43.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.05 111.151 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 4' ' ' LYS . 20.3 p -131.55 146.68 52.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 61.23 111.141 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.61 HG23 ' CE1' ' A' ' 3' ' ' TYR . 2.4 t -145.74 145.84 31.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 61.22 111.153 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.05 135.0 46.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.891 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 3' ' ' TYR . . . -134.89 162.62 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.097 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.8 p -106.4 -16.14 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 75.24 111.12 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -135.1 149.3 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.873 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.75 -40.63 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.15 111.137 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.01 98.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.12 111.065 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.0 m -77.48 -32.39 54.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.147 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.693 ' HB1' ' CZ ' ' A' ' 3' ' ' TYR . . . -59.12 -45.78 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.115 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.13 -37.01 86.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -60.75 -35.85 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' THR . 86.0 t -56.23 -50.29 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 75.34 111.142 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 14.1 m-85 -68.58 -38.53 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.878 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -49.04 78.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.01 110.894 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -75.3 -47.01 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.593 ' N ' HE21 ' A' ' 32' ' ' GLN . 65.5 t80 -56.77 -45.27 82.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.878 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.54 -47.23 49.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 43.34 111.11 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -60.81 -32.54 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.895 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.52 -20.93 34.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -100.71 -3.63 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.82 24.5 72.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 70.43 112.476 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.3 p -64.6 138.23 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -128.57 141.22 51.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.33 10.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 54.12 112.474 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -121.21 148.21 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 72.42 110.916 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -112.81 151.65 30.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.959 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.05 144.05 43.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.164 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.19 114.29 13.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.908 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.61 99.56 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 62.14 110.814 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -65.21 -13.15 57.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 62.05 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.62 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 63.44 111.088 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.526 HG23 HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -112.7 -4.49 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.14 111.125 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp 55.58 22.7 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.903 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.526 HG22 HG23 ' A' ' 49' ' ' THR . 5.6 t -90.38 139.5 30.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 55.03 111.161 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -117.56 142.31 47.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.87 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.586 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -145.55 155.09 42.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 74.12 111.132 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.7 p -141.0 118.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.24 111.124 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -102.4 141.13 35.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.167 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.534 ' CD ' HG23 ' A' ' 39' ' ' VAL . 13.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.844 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.761 0.315 . . . . 73.45 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.54 145.38 25.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.934 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.698 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 41.9 p90 -109.29 160.2 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 61.25 110.935 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -116.22 135.55 53.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.96 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.666 HD12 ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -107.71 123.99 49.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.878 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.51 117.56 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.076 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.666 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -98.12 120.33 38.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 65.51 110.881 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.07 67.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 52.43 110.852 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 167.37 48.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 60.23 112.492 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -81.97 -41.94 20.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 75.15 110.927 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 p -117.17 2.88 12.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 62.04 111.151 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.63 140.59 31.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.92 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -134.21 149.72 51.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.878 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.73 177.87 48.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 34.33 112.508 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -148.87 143.45 26.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 75.03 110.861 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.13 152.11 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 60.21 111.141 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.45 HG22 ' CG ' ' A' ' 4' ' ' LYS . 25.7 p -141.51 146.84 36.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.123 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 29' ' ' VAL . 14.6 t -145.43 145.67 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.122 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.34 125.1 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.778 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.15 158.33 32.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 50.15 111.09 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.83 -15.25 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 60.42 111.172 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.39 150.07 48.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.811 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.51 73.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 61.31 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.46 84.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 70.21 111.085 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.4 m -76.9 -31.88 57.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.134 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.778 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -70.88 -36.25 72.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 50.1 111.066 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 2.1 tt0 -65.62 -48.68 71.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.878 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -31.1 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.54 110.92 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 25' ' ' THR . 68.8 t -56.7 -53.37 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.1 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.489 ' C ' ' CD2' ' A' ' 30' ' ' PHE . 1.9 p90 -73.82 -29.96 62.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.839 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -49.24 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 65.12 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.589 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.46 -46.77 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.906 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.589 ' N ' HE21 ' A' ' 32' ' ' GLN . 48.3 t80 -55.88 -44.17 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.947 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.57 -46.06 56.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 73.02 111.073 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -58.33 -45.29 88.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.6 -27.46 64.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 71.43 110.873 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.46 -4.32 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 60.32 110.933 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.75 23.63 72.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 63.21 112.491 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 34' ' ' ALA . 12.2 p -65.26 127.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.23 111.126 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 141.9 51.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.85 -135.62 5.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 62.14 112.489 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -121.64 147.91 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 71.15 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -106.88 163.29 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 65.21 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.82 144.18 39.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 43.13 111.15 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.45 113.21 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.923 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.39 98.97 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.828 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.13 -14.33 60.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 61.13 110.84 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.77 -45.87 60.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.43 111.108 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.615 ' OG1' HG22 ' A' ' 51' ' ' THR . 24.8 p -111.72 7.85 20.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.03 111.12 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.64 33.59 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 70.22 110.892 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.615 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.9 t -119.17 138.9 52.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.33 111.163 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -105.41 165.72 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -146.33 154.96 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.144 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 54' ' ' VAL . 5.9 p -146.11 118.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 54.53 111.156 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.5 m -110.42 130.97 55.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 54.3 111.154 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.704 0.288 . . . . 62.43 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.39 148.09 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 60.32 110.926 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.803 ' CE2' HG22 ' A' ' 18' ' ' THR . 0.1 OUTLIER -107.71 162.44 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 72.33 110.941 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.682 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -119.55 109.74 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.23 110.927 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 HD12 ' HE1' ' A' ' 3' ' ' TYR . 1.7 tt -99.18 133.36 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.939 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.98 132.58 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 64.54 111.111 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.571 HD12 ' C ' ' A' ' 14' ' ' GLY . 12.8 mt -102.13 124.64 48.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.91 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.69 69.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.896 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' HD12 ' A' ' 12' ' ' LEU . . . -82.77 165.49 44.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 52.45 112.488 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.82 -42.5 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.33 110.925 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.541 HG23 ' HG ' ' A' ' 12' ' ' LEU . 11.2 t -117.66 13.41 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 60.22 111.1 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.541 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -157.22 144.21 18.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.01 110.886 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -141.11 151.36 43.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.892 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' C ' HD12 ' A' ' 7' ' ' LEU . . . -179.96 177.42 48.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 75.41 112.532 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.6 133.85 38.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 65.41 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 134.28 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 53.15 111.143 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.682 HG22 ' HA ' ' A' ' 4' ' ' LYS . 26.8 p -141.45 147.32 37.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.138 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.803 HG22 ' CE2' ' A' ' 3' ' ' TYR . 6.1 t -144.79 147.59 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 75.41 111.14 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 121.22 41.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.907 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.68 145.31 48.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 111.114 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 t -88.63 -28.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 54.02 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -118.33 149.39 41.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 70.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -37.83 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.069 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 70.2 111.113 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 29' ' ' VAL . 85.9 m -76.59 -32.71 58.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 71.05 111.124 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.771 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -61.25 -45.71 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 65.11 111.117 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.98 -44.69 74.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.883 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -66.6 -38.06 86.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 72.3 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.701 ' CG1' HG21 ' A' ' 18' ' ' THR . 91.6 t -64.55 -36.77 78.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 51.2 111.137 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.771 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 7.8 m-30 -64.43 -51.29 63.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.824 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -35.69 73.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.863 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.545 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -68.61 -47.57 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.914 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.545 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.3 t80 -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.95 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -73.1 -47.04 47.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 62.11 111.082 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -66.18 -33.34 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.898 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -57.53 -21.79 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.33 110.908 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.53 -7.39 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.87 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.29 24.65 60.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 33.24 112.452 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 34' ' ' ALA . 14.2 p -64.96 125.5 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 73.3 111.102 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -128.98 142.0 51.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 74.33 110.842 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.45 -140.15 8.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 54.23 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -103.18 148.34 25.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 71.24 110.884 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 5' ' ' LEU . 39.0 m95 -115.17 137.25 52.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.91 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 144.02 43.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 75.22 111.121 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -135.95 113.46 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.928 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -115.8 98.43 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 75.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -65.7 -13.63 59.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 41.44 110.903 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.94 62.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.093 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 51' ' ' THR . 32.9 p -111.55 3.68 18.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 64.14 111.119 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp 48.94 46.83 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.865 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' OG1' ' A' ' 49' ' ' THR . 12.8 t -125.78 138.74 53.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.182 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.23 154.99 19.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.45 110.911 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 m -146.11 154.68 42.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 63.52 111.143 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 39' ' ' VAL . 12.8 p -138.77 130.3 36.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.128 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -110.96 120.94 44.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.135 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.9 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.708 0.29 . . . . 43.33 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.81 137.4 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.906 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' HE2' ' HB3' ' A' ' 26' ' ' ALA . 26.9 p90 -128.0 162.54 26.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.941 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -114.83 135.99 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.24 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.757 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.59 133.4 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 75.34 110.938 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.41 128.29 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.135 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -99.39 118.63 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.914 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.16 66.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.0 165.28 50.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.501 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.8 -41.95 20.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 63.02 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 t -117.16 13.19 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.3 111.157 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.99 141.99 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -140.2 149.72 43.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.75 177.48 48.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 71.34 112.475 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -150.79 132.97 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 53.04 110.851 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.93 150.82 49.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 60.42 111.173 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.8 p -126.81 147.25 50.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 72.04 111.198 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.525 HG22 ' HE2' ' A' ' 30' ' ' PHE . 9.3 t -141.63 143.29 33.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 73.15 111.133 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -104.73 121.93 44.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -151.79 147.98 27.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 74.43 111.06 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.6 m -77.6 -23.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 51.51 111.116 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 149.44 50.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -24.85 61.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 60.14 111.05 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.36 83.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 62.21 111.058 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.0 m -70.51 -42.04 71.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 71.34 111.166 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -72.21 -38.11 69.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.052 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.39 -51.91 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 74.04 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -37.82 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 25' ' ' THR . 77.7 t -59.93 -48.81 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.101 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.757 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.2 m-85 -71.78 -41.79 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 65.24 110.837 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -42.9 72.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.881 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.579 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.34 -46.98 46.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.942 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.579 ' N ' HE21 ' A' ' 32' ' ' GLN . 85.1 t80 -57.63 -42.81 84.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.45 73.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.11 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -65.9 -45.25 82.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.895 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.96 -33.63 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 65.55 110.925 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.45 -1.17 44.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.923 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.92 22.9 67.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 71.53 112.505 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.7 t -69.0 119.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 64.02 111.161 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -127.26 149.94 49.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.911 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.13 -154.06 25.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 54.02 112.46 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -99.93 129.63 46.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 73.41 110.904 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' HZ3' HD11 ' A' ' 5' ' ' LEU . 39.3 m95 -102.45 136.7 41.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.02 144.07 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 72.45 111.152 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -136.67 113.05 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 48' ' ' ALA . 9.1 t70 -121.53 99.53 6.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 60.44 110.914 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -65.35 -12.69 54.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 74.5 110.875 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . . . -70.68 -46.33 63.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 54.02 111.089 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -112.17 0.18 15.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 49.99 49.4 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.44 110.92 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -121.14 139.2 53.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.12 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -119.3 142.66 47.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.918 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -147.6 154.79 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.51 111.177 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -144.46 134.64 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.115 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 97.4 m -124.13 120.2 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.732 0.301 . . . . 64.13 110.875 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.91 147.93 34.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.943 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -109.21 155.17 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.881 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -116.29 135.59 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 60.22 110.922 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -110.03 133.3 53.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 61.32 110.935 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 5' ' ' LEU . 3.5 mp -109.45 120.62 61.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.54 111.138 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD13 ' CG1' ' A' ' 54' ' ' VAL . 3.1 mm? -97.63 117.36 31.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.946 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.1 65.37 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 53.32 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.5 146.59 17.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 72.23 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -82.73 -19.63 37.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 70.33 110.892 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.5 p -99.42 -20.06 16.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 75.12 111.135 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.44 143.54 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 61.34 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.44 148.42 52.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.17 179.16 48.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 55.43 112.483 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.83 133.02 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 74.52 110.911 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.93 152.2 51.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.127 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 p -146.92 147.08 30.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 71.51 111.17 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.58 ' CB ' HG11 ' A' ' 29' ' ' VAL . 7.8 t -144.8 145.16 31.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.1 111.17 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.85 122.84 46.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.845 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.067 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -139.48 154.47 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.03 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 t -86.92 -19.46 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 52.1 111.111 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.03 149.33 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.871 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.14 66.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.19 96.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 41.41 111.068 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.0 m -76.74 -40.53 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 73.24 111.135 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.067 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -68.22 -38.67 82.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.33 111.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 tt0 -61.02 -39.82 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 53.4 110.872 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -66.63 -32.42 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CB ' ' A' ' 18' ' ' THR . 91.6 t -55.9 -52.84 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.121 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -73.48 -30.12 62.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 70.1 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -45.62 81.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.918 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.561 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.13 -45.04 51.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 54.53 110.914 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' N ' HE21 ' A' ' 32' ' ' GLN . 6.1 t80 -60.8 -41.53 95.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -72.68 -46.29 54.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 64.15 111.03 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -62.41 -43.53 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.92 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.13 -24.81 63.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.854 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.01 -7.0 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 54.21 110.907 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.9 23.41 66.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.521 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 34' ' ' ALA . 13.5 p -65.34 130.87 31.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.765 0.317 . . . . 74.55 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -127.84 137.62 52.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.53 -132.98 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 45.25 112.519 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -128.13 148.24 50.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 74.3 110.913 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HZ3' HD21 ' A' ' 5' ' ' LEU . 74.5 m95 -107.74 137.22 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.944 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.522 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -114.83 150.86 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 41.23 111.138 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -133.35 113.32 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.921 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -102.02 99.14 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 65.54 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -64.93 -14.06 58.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 52.25 110.868 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.32 -45.68 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 60.24 111.112 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.7 p -111.42 6.36 20.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 60.51 111.148 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt 49.3 42.13 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.919 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.546 HG22 ' OG1' ' A' ' 49' ' ' THR . 11.4 t -125.91 139.05 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 74.2 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -105.17 155.68 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.522 HG22 ' HB ' ' A' ' 44' ' ' THR . 14.6 t -146.31 155.02 42.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 71.02 111.117 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.633 ' CG1' HD13 ' A' ' 7' ' ' LEU . 5.8 p -132.72 118.01 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.141 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 m -111.01 136.33 50.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.149 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 64.4 110.883 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.701 0.286 . . . . 72.45 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.0 147.99 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.907 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -115.69 158.92 22.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 52.14 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.8 136.68 53.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 71.25 110.886 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -97.06 132.95 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.922 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.637 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.7 mp -104.11 115.81 46.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 72.24 111.128 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD23 ' CG1' ' A' ' 54' ' ' VAL . 9.9 mt -98.05 111.46 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 70.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.94 68.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 61.51 110.928 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.91 149.57 23.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 75.24 112.499 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -81.45 -22.61 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 74.24 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.812 HG23 ' HG ' ' A' ' 12' ' ' LEU . 2.3 t -107.88 -19.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 62.41 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.812 ' HG ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -151.97 143.82 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 64.44 110.927 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -128.6 149.95 50.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.933 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.88 177.21 47.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 65.54 112.48 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 157.81 45.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 61.34 110.88 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.06 163.46 32.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.092 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.56 147.27 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.142 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.9 m -144.85 144.64 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.141 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.04 122.89 46.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.882 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.65 153.66 32.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.129 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.61 -17.05 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.097 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.16 157.61 44.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.906 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.95 61.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 63.35 111.052 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.78 -39.94 90.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 45.43 111.155 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 29' ' ' VAL . 52.4 m -76.51 -36.3 57.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 64.4 111.136 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 -38.2 75.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 44.03 111.126 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -62.72 -50.74 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 25' ' ' THR . 0.7 OUTLIER -60.57 -43.41 97.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 65.22 110.85 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 25' ' ' THR . 76.0 t -64.98 -47.07 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 71.32 111.156 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 5' ' ' LEU . 9.4 m-85 -62.03 -48.75 78.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -33.75 76.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.04 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.473 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -65.78 -47.27 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.934 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.473 ' N ' HE21 ' A' ' 32' ' ' GLN . 5.1 t80 -71.05 -29.7 65.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.959 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB1' HG11 ' A' ' 39' ' ' VAL . . . -72.88 -47.42 46.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 65.45 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -34.24 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.55 110.83 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -58.92 -21.68 58.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.843 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.9 -7.52 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.2 24.09 59.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.817 -0.706 . . . . 75.34 112.514 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.641 HG11 ' HB1' ' A' ' 34' ' ' ALA . 13.0 p -65.13 130.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.87 0.367 . . . . 74.12 111.149 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -127.7 146.83 50.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 70.24 110.902 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.19 -133.49 4.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.488 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.73 147.95 45.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 71.04 110.845 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -118.08 136.95 53.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.59 143.98 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 44.12 111.162 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -136.88 113.5 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 72.4 110.898 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -101.33 99.27 9.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 72.45 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.14 -13.09 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 64.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.66 -43.49 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 55.4 111.106 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -112.09 5.83 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.154 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp 49.13 46.64 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 51.35 110.875 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.55 139.49 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 53.3 111.162 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -105.99 155.89 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.34 110.89 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.637 HG23 ' HB ' ' A' ' 6' ' ' ILE . 5.4 m -145.96 155.2 42.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 64.15 111.166 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.694 ' CG1' HD23 ' A' ' 7' ' ' LEU . 5.6 p -146.16 118.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.171 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.9 m -117.41 140.75 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 62.45 111.13 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' OE2' HG23 ' A' ' 39' ' ' VAL . 18.9 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 63.14 110.896 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 72.14 110.853 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.22 144.89 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.608 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 34.2 p90 -109.14 162.81 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.934 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -113.23 136.57 52.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 74.04 110.946 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -97.39 133.49 41.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.954 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' LEU . 2.7 mp -123.32 111.52 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.42 111.14 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 7' ' ' LEU . 1.7 mm? -100.14 112.28 24.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.89 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.99 66.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 53.21 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.94 162.63 54.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 42.42 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -82.1 -42.86 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 75.45 110.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -117.82 14.86 14.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.43 111.184 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.2 142.36 17.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 51.23 110.917 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -136.45 149.74 48.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.53 110.91 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -177.88 178.01 48.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 73.03 112.468 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.64 143.19 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 60.13 110.863 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.434 HG23 ' CB ' ' A' ' 5' ' ' LEU . 3.7 t -137.06 143.9 42.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 50.14 111.114 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -127.58 145.14 50.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.147 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 t -147.1 146.17 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.161 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -103.59 121.79 43.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -124.63 150.46 46.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 43.21 111.09 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.0 -22.29 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 64.42 111.138 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.58 149.76 52.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 54.44 110.857 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.36 -38.38 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 75.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.36 94.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.069 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.5 m -76.88 -33.23 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.171 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.67 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.071 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tt0 -66.58 -44.86 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.885 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -60.6 -31.3 70.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -56.27 -53.31 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 61.42 111.118 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' HB2' HD21 ' A' ' 5' ' ' LEU . 2.0 p90 -73.93 -30.01 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.96 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.41 110.903 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.582 HE21 ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -74.29 -46.48 40.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.902 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.582 ' N ' HE21 ' A' ' 32' ' ' GLN . 52.5 t80 -55.36 -41.85 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.938 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -72.49 -45.64 58.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 61.32 111.086 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.52 -46.39 88.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.866 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.78 -29.05 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 73.41 110.859 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.57 -3.27 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.856 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.01 61.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 33.41 112.502 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 54' ' ' VAL . 86.1 t -65.62 119.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 70.23 111.133 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.29 141.79 51.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.855 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.87 -142.92 9.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.761 . . . . 42.44 112.478 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -114.36 134.46 54.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 74.03 110.876 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -102.8 162.84 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.957 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -146.52 155.47 42.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 71.25 111.196 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -137.28 113.15 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.927 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.31 98.17 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.857 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.01 -13.95 60.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 65.22 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.86 -46.84 56.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 64.34 111.096 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.601 ' OG1' HG22 ' A' ' 51' ' ' THR . 34.3 p -112.18 6.82 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 60.32 111.108 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.55 34.63 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 60.21 110.923 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.601 HG22 ' OG1' ' A' ' 49' ' ' THR . 6.5 t -118.27 139.28 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.134 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -109.36 160.44 16.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.927 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 m -146.21 147.56 31.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.1 111.168 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 39' ' ' VAL . 5.7 p -133.91 118.2 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.44 111.124 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -97.62 114.22 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 75.2 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.903 -179.919 . . . . . . . . 0 0 . 1 stop_ save_