data_2e7g_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 2e7g _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' ALA . 22.3 tp10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 27.6 t0 -35.86 -58.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -65.58 -33.03 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.0 -44.2 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -71.66 -36.98 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 133' ' ' PHE . 33.4 mt -65.62 -45.04 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -72.07 -43.94 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.95 -45.76 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 133' ' ' PHE . 5.3 tt -66.19 -46.28 77.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.75 -47.27 85.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.88 -38.47 60.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 173' ' ' LEU . 22.5 mt -60.97 -48.98 79.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' CD1' HD22 ' A' ' 96' ' ' LEU . 32.4 mt -66.46 -38.11 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -66.54 -42.2 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.8 -41.15 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.79 -42.48 73.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.53 -50.22 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.6 t -64.82 -30.46 71.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.65 -41.67 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.04 -34.74 79.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.3 mp -75.52 3.06 10.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.4 m -92.46 -30.85 15.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.5 m -113.76 117.56 44.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.484 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.22 -52.37 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.483 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.3 p -92.19 -55.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.483 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 39.6 p -92.06 70.06 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.38 -47.54 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.66 -42.44 86.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 108' ' ' LEU . 14.5 tp -59.51 -50.41 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.484 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 61.7 t80 -55.47 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -44.23 -30.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.45 -32.59 48.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 118' ' ' TYR . 47.1 t30 73.23 47.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.2 p -80.57 152.26 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -144.58 118.11 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.95 157.66 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.2 p -128.9 -40.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 2.1 tmmm? -160.44 148.62 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.93 127.91 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.7 t -106.46 113.14 26.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.4 tp -109.06 140.52 42.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.0 p -69.86 152.72 95.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 -27.89 26.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -81.6 -1.77 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.556 ' CZ ' HD22 ' A' ' 93' ' ' LEU . 10.5 m-85 62.59 25.73 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 24.2 t -90.0 -76.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.65 147.21 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.2 t -123.73 101.85 7.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.87 141.8 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.73 130.21 39.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -100.96 132.37 46.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 142' ' ' THR . 22.1 p-90 -126.29 142.92 51.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -55.02 115.09 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.567 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.2 p -106.87 165.43 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -88.96 -177.58 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.4 33.74 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -141.5 121.13 13.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.24 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -60.24 -45.62 92.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.2 -45.11 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.58 -37.52 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.62 -49.29 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 23.2 mtp -62.57 -44.96 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.32 -38.77 90.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.59 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.414 ' HA ' ' NH1' ' A' ' 158' ' ' ARG . 5.7 p -71.18 -42.83 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 26.3 tp -67.55 -40.0 84.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.68 -52.04 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.8 ptp85 -66.08 -18.2 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.4 15.13 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -53.82 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.88 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -56.94 -44.15 82.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.3 mtm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.8 ttp-105 -55.84 -43.89 77.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -66.02 -42.27 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.442 ' CD1' HG23 ' A' ' 113' ' ' VAL . 28.8 mt -56.97 -35.07 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.0 mt -75.56 -37.66 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.5 mtt -44.21 -39.7 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 22.6 t -36.96 -46.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.32 93.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 44.7 mt-30 -53.55 -40.15 65.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 97.5 m -37.34 -41.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 99' ' ' LEU . 4.1 mm? -67.17 120.77 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -69.51 -70.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.41 120.59 34.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.8 t -102.24 99.41 12.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.4 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.22 27.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.0 mt -91.97 130.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.78 118.53 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.562 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 74.9 m-85 -81.99 131.41 35.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -125.12 141.21 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -71.14 128.92 37.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 9.9 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -35.89 -48.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.86 -42.0 99.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 173' ' ' LEU . 0.1 OUTLIER -69.67 -34.43 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 133' ' ' PHE . 20.3 mt -66.24 -44.94 82.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.19 -44.64 71.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.54 -43.72 89.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD2' HD11 ' A' ' 100' ' ' LEU . 5.1 tt -69.23 -45.35 70.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.35 -47.84 75.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.49 -37.01 92.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 21.1 mt -63.95 -48.9 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 96' ' ' LEU . 44.4 mt -65.28 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -65.88 -43.91 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -42.42 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.81 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.5 mt -66.0 -50.04 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -69.99 -25.31 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -42.81 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.49 -35.14 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 117' ' ' LEU . 3.1 mp -70.31 -4.48 22.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.92 -21.82 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 112.44 36.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.125 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.83 -3.45 12.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.33 -52.24 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 114' ' ' SER . 10.1 p -92.13 -55.12 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.472 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 84.9 p -91.96 66.19 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.24 -46.76 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 108' ' ' LEU . 7.6 tp -60.79 -50.88 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 54.7 t80 -53.48 -52.89 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -40.89 -33.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.73 -35.27 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 118' ' ' TYR . 6.9 t30 74.45 53.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 117' ' ' LEU . 3.7 p -81.44 149.41 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' HG21 ' A' ' 122' ' ' VAL . 4.1 tm-20 -136.7 120.61 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.03 158.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -128.02 -38.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.39 155.29 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.0 t -124.68 131.98 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 137' ' ' ARG . 14.5 t -110.67 111.81 23.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 133' ' ' PHE . 13.9 tp -106.73 141.43 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 23.5 p -69.54 151.68 96.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.21 32.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.99 3.06 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.564 ' CE1' HD23 ' A' ' 93' ' ' LEU . 13.1 m-85 58.5 26.07 13.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 81.7 p -90.24 -76.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.43 144.81 25.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.0 t -123.28 101.61 7.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' SER . 37.6 mtp180 -96.88 140.88 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.65 135.87 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -100.81 131.86 46.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.56 ' CZ3' HG23 ' A' ' 142' ' ' THR . 14.4 p-90 -121.99 142.72 50.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -54.04 120.27 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.56 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -121.3 171.99 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.467 HG21 ' NE2' ' A' ' 148' ' ' GLN . 19.2 p -101.2 177.01 5.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.48 20.94 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.5 m -118.36 126.47 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -47.81 83.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.467 ' NE2' HG21 ' A' ' 143' ' ' THR . 0.1 OUTLIER -70.74 -41.06 72.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.31 -36.15 83.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -69.16 -49.48 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.38 -44.97 95.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.38 -39.02 91.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.13 -44.74 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.5 p -71.4 -41.12 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 54.3 tp -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -61.38 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 0.7 OUTLIER -65.51 -17.23 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.71 9.8 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.06 -49.25 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.79 -61.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -56.76 -43.3 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.1 mtm -57.05 -41.45 78.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.8 -46.02 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.09 -42.52 89.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.64 -34.93 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 169' ' ' SER . 10.7 mt -75.36 -41.24 56.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 167' ' ' LEU . 16.7 mtt -37.87 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 167' ' ' LEU . 66.5 m -46.74 -51.21 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -37.79 135.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.54 39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 62.5 m -120.62 -52.84 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 176' ' ' VAL . 2.4 pp -65.06 170.55 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.35 -75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -116.6 155.69 28.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.43 ' CG2' HD13 ' A' ' 173' ' ' LEU . 46.1 t -120.0 98.63 49.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.73 170.13 17.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.55 28.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.87 127.2 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.17 116.02 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.0 m-85 -81.85 132.44 35.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.82 143.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.59 128.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 17.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.8 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -39.63 -44.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -63.2 -38.54 91.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.83 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -72.27 -32.75 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 133' ' ' PHE . 31.3 mt -66.04 -45.15 82.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -72.2 -44.3 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.08 -48.02 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 100' ' ' LEU . 5.4 tt -64.8 -46.65 81.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.66 -48.11 82.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.73 -34.89 62.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.9 mt -66.24 -46.93 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 34.5 mt -66.79 -38.17 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -66.91 -42.81 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -72.07 -42.85 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' CB ' HD23 ' A' ' 167' ' ' LEU . . . -69.78 -40.93 75.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.05 -50.04 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t -67.61 -27.29 66.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.99 -41.13 82.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.51 -33.42 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 108' ' ' LEU . 3.4 mp -72.62 -0.47 13.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.1 m -91.63 -27.96 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.23 113.79 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.6 -51.65 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.6 p -91.65 -54.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.474 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 28.5 p -91.78 65.09 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.01 -47.29 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.13 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.66 -46.66 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 40.9 t80 -56.93 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -45.36 -36.16 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.42 -29.5 47.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 t30 67.18 52.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.89 147.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -130.87 117.86 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.22 148.74 49.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.2 t -114.65 -41.74 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -168.71 159.85 10.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.5 t -123.41 129.33 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.7 t -108.03 114.93 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.2 tp -110.53 141.17 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.2 p -69.86 153.51 95.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.12 31.22 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.92 0.59 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 93' ' ' LEU . 10.4 m-85 59.92 24.94 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.2 t -90.16 -75.15 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.39 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.47 101.87 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -87.75 141.04 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.96 126.51 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -101.35 131.52 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.547 ' CZ3' HG22 ' A' ' 142' ' ' THR . 39.5 p-90 -125.53 148.48 48.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -56.36 122.81 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.547 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -122.99 173.18 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.1 p -98.37 175.67 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.5 tt -88.13 36.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 m -137.03 131.86 33.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.0 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.77 -45.4 94.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.46 -40.54 85.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.1 -38.72 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.02 -46.61 86.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.459 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.6 t60 -60.74 -49.83 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.798 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.402 ' HE1' ' CZ3' ' A' ' 140' ' ' TRP . 38.3 mtp -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -62.48 -38.34 89.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.9 83.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.43 -41.07 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 49.5 tp -68.37 -45.77 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -59.11 -51.28 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 159' ' ' SER . 3.3 ptp180 -58.31 -32.92 68.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -88.54 18.3 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.1 -47.5 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.25 -42.03 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.4 mtm -58.58 -40.91 84.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -55.47 -46.22 76.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.38 -41.95 88.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.8 mt -55.29 -34.92 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.428 HD23 ' CB ' ' A' ' 103' ' ' ALA . 12.3 mt -80.26 -33.8 37.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.2 mmt -49.0 -24.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.6 m -50.77 -42.89 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -45.25 163.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 172' ' ' THR . 14.4 pt20 -121.14 -37.98 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 171' ' ' GLN . 35.7 m -36.99 -72.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 176' ' ' VAL . 1.2 pt? -51.42 170.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -110.44 -36.08 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.448 ' HB3' ' CD ' ' A' ' 174' ' ' ARG . 9.4 p-10 -139.52 150.28 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 173' ' ' LEU . 37.8 t -117.26 99.13 52.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 111.185 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.51 21.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.28 23.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.93 122.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.1 115.85 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.568 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 56.9 m-85 -81.99 124.28 29.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 88.9 t -123.93 138.09 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.53 127.96 34.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' GLU . 28.5 m-20 -36.96 -48.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.05 -39.05 93.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -67.32 -47.12 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -70.97 -32.47 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 133' ' ' PHE . 28.6 mt -65.61 -45.1 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.08 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.43 -45.93 78.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.59 -47.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.38 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -36.69 68.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 20.9 mt -63.81 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.46 -38.32 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -65.41 -42.83 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -39.57 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.89 74.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.98 -50.34 71.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.9 -38.18 82.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.64 -36.04 75.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' N ' HD11 ' A' ' 108' ' ' LEU . 3.3 mp -75.78 5.57 6.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.3 m -96.57 -28.57 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -112.17 115.78 49.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.73 3.15 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -58.14 -51.99 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.5 p -91.86 -54.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.477 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 76.9 p -91.89 64.86 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.51 -46.61 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -65.25 -39.71 93.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.471 ' N ' ' HG2' ' A' ' 116' ' ' GLU . 9.1 tp -64.44 -51.11 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 38.3 t80 -52.83 -49.67 65.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -41.67 -30.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.46 HD11 ' CE ' ' A' ' 152' ' ' MET . 17.5 mt -87.5 -32.7 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 118' ' ' TYR . 7.1 t-20 71.91 54.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 123' ' ' GLU . 3.4 p -79.54 151.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.465 ' N ' HG22 ' A' ' 122' ' ' VAL . 27.2 mt-10 -137.23 125.09 22.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.57 156.5 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.4 p -128.31 -39.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 21.3 ttpt -167.75 150.56 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.47 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 48.2 t -124.89 126.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -108.98 118.23 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 133' ' ' PHE . 12.4 tp -110.36 141.1 43.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -69.82 153.94 95.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.701 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.46 31.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.26 3.11 53.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 129' ' ' LEU . 21.7 m-85 58.56 28.15 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.4 m -90.36 -76.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.83 151.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.9 t -129.63 101.76 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.63 141.15 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.4 124.67 26.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.65 132.48 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.559 ' CH2' HG22 ' A' ' 142' ' ' THR . 18.8 p-90 -123.6 160.24 27.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.33 119.76 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.559 HG22 ' CH2' ' A' ' 140' ' ' TRP . 18.7 p -113.86 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.0 p -89.52 -177.93 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 tp -80.62 -23.94 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.5 m -90.11 130.32 36.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.36 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.98 -48.02 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 14.7 tm0? -61.34 -38.24 86.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.86 -37.17 86.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.53 -47.69 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.7 t60 -61.01 -50.98 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.46 ' CE ' HD11 ' A' ' 120' ' ' LEU . 8.5 mtp -65.11 -42.92 93.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 116' ' ' GLU . 5.4 p -71.3 -41.76 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.9 tp -66.97 -44.77 79.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.99 -50.68 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -62.5 -28.54 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -86.58 18.26 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.91 -46.32 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.36 -60.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -56.97 -41.34 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.3 mtt -56.86 -47.86 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.81 -45.99 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.59 -42.82 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.62 -36.93 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 42.5 mt -72.84 -40.75 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 169' ' ' SER . 22.0 mtt -40.78 -39.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 168' ' ' MET . 4.9 t -37.24 -43.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -51.72 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 172' ' ' THR . 29.9 tp60 -128.73 -56.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.0 p -37.08 -35.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.87 135.75 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.57 -73.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.95 137.96 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 83.9 t -116.25 99.4 52.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.668 0.747 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.422 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.79 170.08 17.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 131.39 21.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 60.8 mt -91.87 125.06 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.42 116.77 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.571 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.84 124.76 29.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.78 143.77 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.72 133.88 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.1 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -38.68 -51.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.56 -36.63 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.72 -47.9 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.32 -34.3 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 133' ' ' PHE . 23.8 mt -64.04 -44.82 91.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -70.76 -43.09 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.57 -41.33 88.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 133' ' ' PHE . 5.2 tt -69.37 -45.75 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.16 -46.03 82.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.03 -41.4 71.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 173' ' ' LEU . 26.4 mt -60.27 -46.96 88.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 96' ' ' LEU . 44.0 mt -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.02 -44.72 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -69.74 -46.62 65.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.66 88.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 mt -65.87 -50.09 65.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -62.91 -28.15 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.28 -46.11 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.32 -32.71 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 108' ' ' LEU . 3.2 mp -76.68 -1.0 25.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 96.2 m -95.1 -17.34 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.401 ' CG2' ' OE1' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -117.79 113.61 37.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.145 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.8 -2.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' OE1' ' CG2' ' A' ' 110' ' ' THR . 28.5 mt-10 -54.89 -51.78 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.9 p -92.06 -55.27 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.475 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -92.14 65.47 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.76 -47.15 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 15.0 tp -62.91 -51.35 67.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 46.6 t80 -51.65 -48.21 63.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -23.08 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 43.7 mt -90.21 -34.58 15.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.9 44.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.35 157.68 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -144.42 122.91 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.03 145.51 55.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.3 p -114.12 -36.17 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -173.89 155.79 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 128' ' ' SER . 97.1 t -125.61 132.69 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 127' ' ' VAL . 3.3 t -112.83 118.29 34.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 133' ' ' PHE . 15.3 tp -110.93 141.2 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.456 HG22 ' CZ ' ' A' ' 137' ' ' ARG . 1.6 p -69.71 156.16 92.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.55 29.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.73 4.36 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 96' ' ' LEU . 7.5 m-85 54.98 25.5 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 17.3 t -90.06 -75.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.04 151.66 21.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.7 t -131.15 101.92 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.456 ' CZ ' HG22 ' A' ' 130' ' ' THR . 0.2 OUTLIER -85.52 141.73 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -130.76 125.64 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -100.93 131.31 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.438 ' CZ3' HG22 ' A' ' 142' ' ' THR . 33.3 p-90 -125.07 142.79 51.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -41.59 124.1 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.438 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 11.5 p -134.9 -176.38 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.1 t -137.79 177.0 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 143' ' ' THR . 13.6 tp -77.01 5.91 7.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -91.27 103.97 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.68 -48.0 78.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.448 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 1.5 pp0? -69.52 -36.98 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.433 ' OD1' ' NE2' ' A' ' 148' ' ' GLN . 63.9 m-20 -68.52 -38.09 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.64 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 3.4 t60 -67.45 -47.92 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 37.8 mtp -64.42 -42.56 95.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.12 98.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.93 92.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.47 -40.72 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 181' ' ' PHE . 60.6 tp -66.05 -42.69 89.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -62.18 -51.96 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.437 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -63.52 -14.09 47.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 18.1 m -103.98 6.27 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.7 -49.1 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.91 -59.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -56.86 -43.18 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' MET . . . . . 0.401 ' HE2' ' CD2' ' A' ' 117' ' ' LEU . 6.9 mtm -57.74 -43.05 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -55.96 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -63.99 -44.99 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 57.2 mt -55.53 -34.92 65.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.417 ' O ' ' CD ' ' A' ' 170' ' ' GLN . 13.6 mt -73.87 -39.03 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.5 mtt -41.98 -40.07 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 8.2 t -38.77 -53.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 167' ' ' LEU . 4.7 mp0 -54.25 93.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.6 pt20 -54.72 -39.44 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 171' ' ' GLN . 10.5 t -34.73 -40.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 99' ' ' LEU . 9.2 mt -78.79 118.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -62.18 -69.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 175' ' ' ASN . 1.0 OUTLIER -119.9 131.87 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.8 t -109.59 99.41 37.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.0 Cg_endo -69.77 170.0 17.6 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 134.32 27.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 180' ' ' VAL . 63.3 mt -92.79 135.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.456 ' N ' HG23 ' A' ' 179' ' ' ILE . 47.6 t -130.25 117.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 156' ' ' LEU . 71.0 m-85 -82.08 126.38 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.27 143.92 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.05 131.85 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.9 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.82 -45.3 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -65.39 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.57 -47.17 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 13.7 ttm105 -71.39 -29.02 64.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.46 -44.9 85.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -71.91 -44.35 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.67 -46.52 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 100' ' ' LEU . 5.2 tt -66.09 -46.96 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.4 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.58 62.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 21.5 mt -62.46 -49.34 75.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 35.7 mt -67.05 -39.72 86.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.403 ' O ' ' CG2' ' A' ' 105' ' ' THR . 60.6 t80 -66.75 -42.49 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.7 -41.15 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.434 ' CB ' HD21 ' A' ' 167' ' ' LEU . . . -69.25 -42.77 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.3 -50.49 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 101' ' ' TYR . 7.5 t -65.04 -28.13 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.39 -35.0 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.69 -34.66 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 108' ' ' LEU . 3.6 mp -74.67 1.57 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.43 -34.04 15.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m -108.68 117.0 55.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.2 2.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.232 . . . . 0.0 112.354 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.67 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.0 p -92.62 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.485 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 25.6 p -92.61 68.52 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -60.17 -47.46 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.77 -41.97 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.27 -40.81 97.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 63.1 t80 -61.66 -51.79 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -45.39 -33.01 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.72 -30.81 56.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' TYR . 65.0 t30 68.41 44.57 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 123' ' ' GLU . 7.2 p -78.48 147.45 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 122' ' ' VAL . 35.2 mt-10 -135.03 123.53 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.0 mt -50.57 153.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -120.34 -40.89 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 24.7 ttmt -170.36 147.43 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.464 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 96.3 t -121.45 126.53 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.8 t -109.08 119.01 38.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.6 tp -109.51 139.59 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.424 HG23 ' CZ ' ' A' ' 137' ' ' ARG . 19.1 p -70.04 154.24 94.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -24.1 30.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.42 4.85 37.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 129' ' ' LEU . 8.6 m-85 54.51 25.07 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.85 -73.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.39 148.4 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.5 t -126.55 102.55 7.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.424 ' CZ ' HG23 ' A' ' 130' ' ' THR . 0.2 OUTLIER -84.92 140.76 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.69 120.62 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -100.99 127.38 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.533 ' CZ3' HG23 ' A' ' 142' ' ' THR . 26.0 p-90 -120.1 155.99 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -58.41 122.09 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.533 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 44.0 p -123.1 158.59 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.9 p -89.66 171.76 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.5 tp -85.85 35.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.3 m -137.17 122.74 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.14 96.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.87 -47.42 85.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.57 -43.07 90.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.31 -35.9 80.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.57 -49.84 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.1 t60 -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 19.8 mtp -64.43 -45.0 89.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.0 -36.9 82.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.36 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.29 -40.87 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 40.8 tp -69.35 -44.34 71.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.1 -52.13 65.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.9 ppt_? -64.01 -14.25 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.7 m -103.35 18.1 22.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.96 -50.55 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -59.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -56.81 -42.92 80.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 3.9 mtm -56.92 -46.31 82.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -55.85 -45.02 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.39 -42.42 92.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.78 -37.04 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 103' ' ' ALA . 56.3 mt -74.27 -38.11 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.8 mtt -45.83 -30.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.7 t -40.33 -46.82 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -78.1 138.69 38.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 36.8 mm-40 -101.34 -32.71 10.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 57.5 m -37.29 -52.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 176' ' ' VAL . 4.4 pp -60.25 171.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 175' ' ' ASN . 21.5 mmt180 -103.98 -174.65 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 174' ' ' ARG . 8.8 t30 -34.1 127.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.447 ' CG2' HD11 ' A' ' 173' ' ' LEU . 58.2 t -102.32 98.92 11.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.07 17.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.84 24.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 61.7 mt -91.93 130.78 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 42.5 t -122.35 116.42 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 68.6 m-85 -82.0 121.17 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.73 143.99 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 40.1 mt-30 -71.22 128.46 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -43.19 -43.43 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -67.98 -38.25 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.2 -47.76 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -71.9 -37.32 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.554 HD23 ' CZ ' ' A' ' 133' ' ' PHE . 32.4 mt -65.69 -45.24 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -72.24 -41.69 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.36 -48.9 68.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -63.92 -47.05 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.3 -36.08 83.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.06 -45.9 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 96' ' ' LEU . 36.8 mt -66.65 -36.14 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.61 -41.47 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.93 -42.92 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 167' ' ' LEU . . . -69.98 -40.57 75.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 179' ' ' ILE . 35.3 mt -63.46 -50.11 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 10.2 t -66.72 -28.24 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.63 -40.84 84.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.94 -38.42 91.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 mp -70.16 -2.18 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 105' ' ' THR . 70.3 m -89.71 -26.9 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 114.5 42.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.517 0.675 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.75 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.76 -52.07 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.511 ' CG1' ' H ' ' A' ' 114' ' ' SER . 7.4 p -91.94 -58.42 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.511 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 37.3 m -92.73 69.13 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.5 -47.03 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.38 -42.31 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 122' ' ' VAL . 7.6 tp -59.59 -51.19 70.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 47.0 t80 -52.03 -49.54 63.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.72 -40.33 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.15 -26.38 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' TYR . 11.2 m120 62.43 54.49 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 123' ' ' GLU . 7.4 p -80.12 150.59 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 122' ' ' VAL . 12.4 pt-20 -134.3 123.75 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 157.86 22.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 t -127.68 -40.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -164.12 159.02 19.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.72 127.44 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -103.21 113.3 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.0 tp -107.68 140.98 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 p -69.98 151.26 96.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -26.1 27.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.3 6.25 37.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.554 ' CZ ' HD23 ' A' ' 93' ' ' LEU . 27.3 m-85 56.64 27.56 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.0 t -90.13 -76.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 153.49 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 14.3 t -129.58 102.42 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.37 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.6 127.14 36.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.95 134.78 43.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.552 ' CZ3' HG23 ' A' ' 142' ' ' THR . 39.8 p-90 -130.42 142.24 50.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.552 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 81.2 p -124.2 170.33 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.452 HG21 ' NE2' ' A' ' 148' ' ' GLN . 65.1 p -97.66 170.41 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -86.85 34.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 m -132.73 117.98 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.57 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.23 -45.8 83.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.452 ' NE2' HG21 ' A' ' 143' ' ' THR . 1.6 tm0? -69.27 -46.02 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -60.17 -38.33 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.08 64.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -61.8 -50.48 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.433 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 15.7 mtp -62.93 -45.84 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -62.1 -37.32 84.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.14 90.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.1 p -70.9 -40.78 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 61.4 tp -69.13 -45.25 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.14 -52.16 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.3 ppt_? -64.31 -17.24 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.7 m -101.38 13.69 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.79 -47.95 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -62.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -56.95 -42.78 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.7 mtm -57.37 -40.05 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -55.9 -45.4 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -66.07 -41.81 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 113' ' ' VAL . 46.1 mt -57.06 -34.63 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 28.9 mt -79.07 -32.99 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.3 mmt -50.42 -34.82 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.7 t -40.54 -44.46 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.66 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -85.82 44.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 55.1 m -115.47 -64.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.435 ' CD1' HG23 ' A' ' 176' ' ' VAL . 1.2 pt? -52.98 177.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -94.11 -69.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 142.69 51.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.435 HG23 ' CD1' ' A' ' 173' ' ' LEU . 46.2 t -105.18 99.22 18.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.7 169.96 17.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.0 24.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 104' ' ' LEU . 63.3 mt -91.93 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.27 115.14 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.8 m-85 -82.07 129.6 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.15 137.59 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -75.37 128.18 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.6 mt-10 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -36.88 -52.63 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.1 -36.47 84.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.27 -48.07 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -32.42 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.6 mt -64.81 -45.02 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.28 -44.28 72.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.76 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 133' ' ' PHE . 5.0 tt -67.6 -40.87 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.96 -47.77 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.28 -39.52 71.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 96' ' ' LEU . 28.9 mt -64.88 -40.99 95.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.05 -40.97 91.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -73.02 -41.14 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.68 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 179' ' ' ILE . 25.1 mt -64.13 -50.3 68.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.7 t -63.76 -32.24 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -39.81 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.77 -37.54 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 108' ' ' LEU . 3.4 mp -71.27 -1.82 14.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 65.0 m -90.24 -27.21 19.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.26 111.32 64.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.44 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.81 4.7 2.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -51.7 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.7 p -91.54 -54.63 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.472 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 11.2 p -91.75 52.58 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.64 -47.35 82.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.64 -42.24 99.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 122' ' ' VAL . 25.9 tp -69.03 -36.69 78.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 39.0 t80 -60.22 -44.0 95.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.65 -28.21 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.42 -16.71 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.0 t30 52.95 54.77 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 117' ' ' LEU . 8.8 p -85.7 147.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 122' ' ' VAL . 39.2 mt-10 -132.2 117.83 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.92 144.13 29.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -111.18 -41.45 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 139' ' ' TYR . 13.4 pttp -166.32 160.08 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -128.56 128.71 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.7 t -109.76 113.21 25.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.1 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 p -69.73 153.24 95.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.73 23.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.67 -0.77 44.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 96' ' ' LEU . 16.0 m-85 62.46 28.53 16.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -90.28 -77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.94 148.73 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -123.61 101.79 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.81 138.95 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.87 123.0 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.426 ' HB2' ' CG ' ' A' ' 126' ' ' LYS . 5.8 m-85 -100.95 124.08 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.508 ' CE3' ' O ' ' A' ' 141' ' ' LYS . 42.7 p-90 -121.54 143.26 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.508 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -37.42 134.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.8 p -141.48 140.92 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.456 HG21 ' NE2' ' A' ' 148' ' ' GLN . 2.8 t -96.88 175.96 6.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.415 ' N ' ' OG1' ' A' ' 143' ' ' THR . 1.4 tt -84.01 23.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.11 98.36 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.18 -32.6 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.81 -46.14 86.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.456 ' NE2' HG21 ' A' ' 143' ' ' THR . 28.1 tt0 -71.57 -39.76 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 93.9 m-20 -65.86 -41.0 92.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.36 -49.77 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -67.59 -48.99 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 140' ' ' TRP . 35.8 mtp -62.45 -44.17 97.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.8 tt0 -62.37 -40.05 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.69 92.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.4 p -71.45 -41.75 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.3 tp -67.83 -41.22 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -61.79 -51.17 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -63.64 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -81.99 15.78 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.06 -54.3 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.87 -58.67 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -56.89 -44.31 82.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.7 mtm -57.38 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.83 -44.06 77.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -64.92 -42.24 94.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.414 ' CD1' HG22 ' A' ' 113' ' ' VAL . 57.2 mt -58.13 -34.99 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -76.33 -33.74 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 25.7 mtt -51.64 -33.58 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 22.5 m -40.69 -43.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.28 97.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.5 mp0 -57.27 -35.53 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.0 m -35.42 -54.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.45 127.68 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.61 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -127.46 131.98 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 80.4 t -110.95 99.36 42.41 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.7 Cg_endo -69.73 170.04 17.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 133.76 26.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.734 2.29 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.465 ' CD1' HD23 ' A' ' 104' ' ' LEU . 63.9 mt -91.93 124.1 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.18 117.22 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.569 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 69.3 m-85 -81.9 132.57 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.73 142.45 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.88 127.93 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.75 -46.45 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -67.77 -40.22 84.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.89 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -72.62 -33.07 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.88 -44.55 89.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -71.46 -43.1 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.53 -44.28 82.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.8 tt -65.8 -46.7 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.2 -47.41 86.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.88 60.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 23.2 mt -63.35 -50.07 71.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 96' ' ' LEU . 30.4 mt -67.95 -40.35 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.16 -42.61 88.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -72.87 -41.1 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . . . -69.81 -41.97 74.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.072 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.28 -50.32 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.4 t -64.6 -31.2 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.96 -35.56 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.37 -36.43 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.3 mp -73.1 0.61 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.87 -25.26 21.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -117.81 116.12 36.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 111.177 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.471 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.72 3.52 2.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.504 ' CG1' ' H ' ' A' ' 114' ' ' SER . 6.3 p -91.94 -58.69 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.504 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 68.0 m -92.37 69.59 5.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -60.45 -46.5 89.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.33 -42.42 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.471 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 11.8 tp -60.38 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 57.7 t80 -56.09 -50.53 70.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.92 -40.9 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.05 -28.77 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 118' ' ' TYR . 2.9 t-20 64.62 54.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 123' ' ' GLU . 7.3 p -76.9 150.25 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' ' 122' ' ' VAL . 28.9 mt-10 -131.44 121.47 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.8 146.51 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.4 t -111.75 -43.99 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -167.39 158.59 11.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 128' ' ' SER . 96.9 t -125.44 134.81 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' ARG . 7.6 p -112.89 118.75 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 96' ' ' LEU . 15.9 tp -110.55 141.45 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.4 p -69.57 152.82 96.16 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -25.88 28.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.17 2.25 40.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 58.1 25.73 12.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.9 t -90.27 -76.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.78 149.15 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -126.87 101.6 6.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 128' ' ' SER . 1.6 mpt_? -90.59 141.35 28.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.98 128.59 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.93 132.06 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CZ3' ' HE2' ' A' ' 152' ' ' MET . 32.6 p-90 -129.01 148.61 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -54.86 126.21 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.522 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 39.1 p -123.87 159.72 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.424 HG23 ' NE2' ' A' ' 148' ' ' GLN . 68.4 p -91.16 172.71 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.51 36.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -134.25 122.33 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.58 -44.32 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.432 ' C ' ' OE1' ' A' ' 148' ' ' GLN . 1.2 tm0? -69.52 -44.9 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.0 -50.03 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -61.66 -50.38 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.541 ' HE2' ' CZ3' ' A' ' 140' ' ' TRP . 28.1 mtp -61.82 -45.54 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.48 86.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.4 p -71.08 -41.14 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 62.9 tp -69.28 -45.69 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.11 -52.28 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -16.16 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.2 m -101.67 17.07 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.53 -47.75 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.04 -44.22 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 178' ' ' PRO . 18.7 ttm180 -55.79 -45.9 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.86 -42.34 90.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 113' ' ' VAL . 35.3 mt -56.06 -34.87 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 51.0 mt -77.63 -36.36 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.48 -36.82 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 168' ' ' MET . 11.2 t -37.68 -44.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . 0.445 ' N ' ' CD ' ' A' ' 170' ' ' GLN . 0.4 OUTLIER -53.42 160.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.9 mp0 -116.24 -43.62 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.2 p -34.12 -64.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -49.54 163.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -106.57 -59.2 1.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -130.25 131.3 45.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 29.6 t -105.32 99.68 21.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.77 170.09 17.39 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 164' ' ' ARG . 53.7 Cg_endo -69.79 133.84 26.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.06 128.93 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 63.2 t -125.89 115.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 84.9 m-85 -82.02 134.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 72.0 t -128.46 136.93 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -73.86 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.9 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.88 0.371 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.11 -43.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -65.29 -34.82 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.3 -47.74 66.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -72.98 -32.41 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.68 -45.05 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -72.04 -42.36 66.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.92 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 133' ' ' PHE . 5.4 tt -67.31 -47.06 71.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -47.03 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.54 59.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 mt -57.06 -49.42 75.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 96' ' ' LEU . 30.4 mt -65.12 -37.68 88.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.79 -45.0 84.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.24 -43.39 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.0 mt -67.78 -50.02 59.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.1 t -67.78 -23.21 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.27 -41.14 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.15 -35.1 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 108' ' ' LEU . 3.2 mp -72.85 1.57 8.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.8 m -97.38 -10.84 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 113.1 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.169 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.756 2.304 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -57.26 -51.44 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.505 ' CG1' ' H ' ' A' ' 114' ' ' SER . 6.9 p -91.18 -58.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.505 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 55.4 m -92.46 69.9 5.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.98 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -64.29 -41.7 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 13.8 tp -61.66 -51.17 69.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 42.8 t80 -52.98 -47.33 68.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -23.25 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.9 mt -90.12 -22.43 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.9 m120 62.11 54.42 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.96 145.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.05 116.9 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.2 mt -50.93 159.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -130.71 -36.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -166.28 152.82 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.5 t -127.36 127.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 t -111.25 116.17 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 96' ' ' LEU . 21.8 tp -108.93 141.33 41.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 69.5 p -69.59 152.2 96.34 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.49 23.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.279 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -81.64 1.7 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 92' ' ' ARG . 8.9 m-85 59.75 26.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 4.8 m -90.2 -76.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.32 21.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 11.6 t -126.42 101.82 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.14 140.3 31.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.99 122.62 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -100.99 130.43 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.554 ' CH2' HG22 ' A' ' 142' ' ' THR . 12.0 p-90 -122.75 159.26 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -66.69 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.554 HG22 ' CH2' ' A' ' 140' ' ' TRP . 62.8 p -120.88 172.28 8.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.437 HG23 ' NE2' ' A' ' 148' ' ' GLN . 77.6 p -102.18 175.48 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -87.94 30.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -127.98 128.74 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.02 87.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -61.81 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.482 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.4 tm0? -68.47 -37.19 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.0 -38.04 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.98 -50.02 63.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.2 t-160 -65.34 -50.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.482 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 48.1 mtp -59.04 -46.21 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.53 -36.82 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.79 77.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.42 ' HA ' ' NH1' ' A' ' 158' ' ' ARG . 7.1 p -71.25 -42.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.542 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 49.9 tp -68.98 -40.04 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.17 -52.06 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.3 ptp85 -65.62 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -95.09 8.36 43.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.06 -47.56 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.62 -60.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -57.49 -43.09 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.1 mtm -57.0 -42.32 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -56.0 -44.77 78.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.9 -42.05 90.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.469 ' CD1' HG21 ' A' ' 113' ' ' VAL . 52.4 mt -57.19 -34.67 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.07 -39.72 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' SER . 3.8 mtt -43.46 -35.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' MET . 33.1 t -37.83 -50.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.69 127.44 32.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -86.58 -28.3 23.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 19.9 p -49.21 -19.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.05 129.12 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -76.04 -69.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.32 128.64 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 48.2 t -108.2 99.42 31.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.443 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.9 Cg_endo -69.73 170.09 17.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 180' ' ' VAL . 61.5 mt -91.98 136.09 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' HG23 ' A' ' 179' ' ' ILE . 59.9 t -130.42 117.9 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.542 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 64.1 m-85 -82.15 131.24 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.69 142.04 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.52 128.87 37.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.1 pp20? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -38.84 -49.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -65.61 -38.86 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.5 -46.02 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -69.2 -32.27 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 133' ' ' PHE . 31.9 mt -64.68 -45.15 87.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -72.09 -44.86 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.95 74.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.64 -46.37 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.26 -47.99 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.03 -35.81 79.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.21 -48.28 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.55 -39.76 88.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.17 -42.57 88.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -70.65 -42.26 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.12 74.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.04 -50.49 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -65.0 -32.46 74.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.22 -36.66 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.59 -38.88 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 4.1 mp -71.94 1.22 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 78.9 m -90.99 -27.69 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -115.91 118.65 38.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.52 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.73 -51.66 37.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.507 ' CG1' ' H ' ' A' ' 114' ' ' SER . 5.8 p -91.53 -59.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.507 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 10.2 m -92.69 69.3 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -59.05 -46.93 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.72 -42.02 91.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 14.2 tp -62.48 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 78.2 t80 -60.32 -46.33 90.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.7 -28.73 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.3 -21.75 33.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.62 36.44 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.6 145.95 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.7 124.63 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.1 149.55 47.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 t -115.96 -40.39 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 159.56 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -126.58 130.67 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -110.08 116.05 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.3 tp -108.67 141.2 40.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.4 p -69.66 154.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.712 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.21 14.95 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 129' ' ' LEU . 20.0 m-85 47.18 30.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -90.36 -76.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.61 150.33 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.4 t -123.29 101.69 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -85.83 138.69 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.22 123.38 28.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -101.01 129.63 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -119.57 143.89 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -49.77 119.56 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.9 p -124.96 163.62 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.7 p -102.49 -178.93 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -87.03 36.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 m -134.22 121.92 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.47 -28.22 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.38 -48.03 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.4 pp0? -70.72 -37.5 73.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 15.3 m-80 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.8 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.5 t60 -64.11 -50.63 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.62 -44.07 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 26.4 tt0 -62.6 -38.97 92.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.76 86.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.45 -41.77 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.3 tp -67.96 -43.54 78.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -60.03 -50.32 74.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 159' ' ' SER . 2.7 ptp180 -60.41 -30.14 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -89.81 17.3 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.01 -45.69 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -57.11 -42.5 80.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -56.97 -43.96 82.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -56.32 -46.11 80.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -66.08 -42.82 88.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 36.9 mt -55.63 -34.92 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.85 -39.79 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 14.2 mtt -40.94 -31.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 t -39.79 -52.15 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -43.99 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 172' ' ' THR . 13.6 mm100 -124.45 -47.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 171' ' ' GLN . 45.8 p -36.86 -47.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.435 HD12 ' CG2' ' A' ' 176' ' ' VAL . 1.1 pt? -64.24 156.85 27.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -88.9 -72.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -122.03 163.41 19.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 173' ' ' LEU . 61.6 t -124.65 99.47 35.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.83 18.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.71 23.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 54.0 mt -91.92 126.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 55.9 t -124.34 115.85 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.8 m-85 -81.88 124.45 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 73.6 t -121.35 144.09 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.83 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 18.7 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -41.27 -46.23 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.52 -37.35 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.73 -46.93 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.465 ' HD3' ' NE ' ' A' ' 174' ' ' ARG . 1.5 tpm_? -70.71 -32.52 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -65.18 -45.08 86.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -72.05 -44.85 62.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.14 92.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 100' ' ' LEU . 5.9 tt -66.14 -47.12 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -59.5 -48.28 82.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -40.56 67.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.67 -45.67 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 96' ' ' LEU . 25.0 mt -66.52 -38.34 86.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.23 -44.08 84.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -73.35 -40.56 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.64 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.9 -49.94 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 t -63.99 -28.4 69.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.5 -42.51 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.66 -35.84 81.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.461 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.2 mp -75.4 -1.32 23.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -93.33 -18.81 22.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -122.15 117.63 29.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.54 -53.4 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.503 ' CG1' ' H ' ' A' ' 114' ' ' SER . 8.1 p -93.46 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.503 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 0.4 OUTLIER -93.46 69.55 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.67 -46.58 89.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.45 -42.4 95.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.461 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 20.9 tp -63.33 -40.65 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 82.8 t80 -61.0 -45.98 92.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.88 -33.72 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.443 HD11 ' CE ' ' A' ' 152' ' ' MET . 10.9 mt -79.38 -24.43 42.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 61.48 53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.74 147.93 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -134.94 117.04 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.6 mt -55.97 159.86 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.7 p -129.21 -38.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -165.37 154.49 12.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.89 126.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -106.89 115.62 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 133' ' ' PHE . 16.2 tp -108.65 141.0 41.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 22.5 p -69.8 154.51 94.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.06 11.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 132' ' ' ASP . 15.8 p-10 -82.92 13.28 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.502 ' CE1' HD23 ' A' ' 129' ' ' LEU . 13.1 m-85 50.27 31.27 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.7 p -90.18 -77.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.82 149.25 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 6.9 t -122.86 101.77 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.42 136.79 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.62 123.02 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -101.1 129.01 46.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -121.71 142.29 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -47.95 122.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -130.78 172.34 12.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 52.8 p -104.1 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.413 ' O ' ' CD2' ' A' ' 144' ' ' LEU . 1.7 tt -90.53 32.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -127.59 122.44 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.61 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.25 -48.0 77.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 27.1 tp60 -65.97 -36.93 84.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 44.9 m-20 -72.36 -36.63 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.07 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.442 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.5 t-160 -63.48 -49.77 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 17.4 mtp -64.99 -42.47 94.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 23.9 tt0 -62.47 -40.49 96.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.75 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.37 -42.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.546 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 57.9 tp -67.17 -40.75 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -61.38 -52.02 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -61.87 -21.16 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -96.93 17.99 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.17 -56.08 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.67 -57.9 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -56.82 -44.99 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.3 mtm -56.99 -44.83 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -55.76 -45.65 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -66.25 -41.87 89.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 113' ' ' VAL . 30.2 mt -56.14 -34.7 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.49 -34.26 41.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 169' ' ' SER . 8.3 mtt -46.91 -39.05 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 168' ' ' MET . 67.9 m -37.0 -50.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -57.06 100.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 172' ' ' THR . 10.2 tp60 -53.31 -37.99 62.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 171' ' ' GLN . 19.4 p -36.39 -37.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -85.21 114.83 22.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -88.79 -30.75 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.467 ' N ' ' HG2' ' A' ' 174' ' ' ARG . 37.1 t30 -134.24 108.84 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 46.9 t -111.74 99.4 44.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.422 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.75 170.1 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.86 29.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.2 mt -92.57 130.91 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.03 118.82 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.546 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 58.9 m-85 -82.34 122.86 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.84 139.8 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.99 129.39 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.0 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -40.75 -44.82 2.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -67.84 -33.15 74.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.91 -47.98 64.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -73.0 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 28.3 mt -65.59 -45.19 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -72.07 -40.93 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.56 -45.84 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.52 -47.06 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.76 -45.88 90.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.98 -35.73 61.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' A' ' 173' ' ' LEU . 22.1 mt -66.88 -49.12 66.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.0 -38.37 90.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 105' ' ' THR . 59.8 t80 -67.17 -40.26 86.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -74.15 -41.57 61.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' CB ' HD23 ' A' ' 167' ' ' LEU . . . -70.11 -42.81 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.12 -50.18 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.88 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.67 -38.64 84.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.15 -39.48 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.3 mp -71.79 -0.64 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 62.2 m -91.8 -24.3 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.23 117.24 36.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.85 3.31 2.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.09 -52.59 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.3 p -92.64 -56.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.492 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 0.4 OUTLIER -92.87 66.52 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -60.32 -47.07 87.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.65 -42.13 98.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.463 ' CD2' ' HE3' ' A' ' 163' ' ' MET . 14.0 tp -63.07 -47.64 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 65.1 t80 -53.47 -51.74 61.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -42.18 -36.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 151' ' ' HIS . 17.9 mt -71.87 -35.18 69.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 118' ' ' TYR . 26.6 t30 74.24 47.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 123' ' ' GLU . 12.7 p -79.89 152.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.468 ' N ' HG21 ' A' ' 122' ' ' VAL . 18.9 mt-10 -140.81 113.74 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 mt -50.12 149.85 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -123.41 -40.46 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 16.5 ttpt -166.02 148.4 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.458 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 79.1 t -128.73 127.55 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -108.95 125.11 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -110.48 141.53 43.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.3 p -69.41 155.94 92.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.28 20.71 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.86 7.79 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 129' ' ' LEU . 29.1 m-85 53.91 28.97 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 31.1 t -90.29 -75.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.5 146.8 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 37.9 t -125.06 101.77 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 141.24 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.03 123.62 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -100.84 133.82 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.51 ' CH2' HG21 ' A' ' 142' ' ' THR . 35.2 p-90 -127.42 150.68 49.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -57.64 121.24 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.51 HG21 ' CH2' ' A' ' 140' ' ' TRP . 82.5 p -118.13 166.29 12.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.5 p -92.64 179.18 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.5 tt -93.6 35.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -138.93 121.19 15.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.02 87.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.0 -48.16 82.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.47 88.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.53 -35.98 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.8 85.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 120' ' ' LEU . 6.6 t60 -60.29 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.496 ' HA ' ' CG1' ' A' ' 155' ' ' VAL . 65.9 mtp -65.16 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.64 -43.12 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.24 72.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 152' ' ' MET . 3.9 p -70.76 -39.98 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.0 tp -69.0 -44.38 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.16 -52.35 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -17.73 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.36 13.35 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.82 -41.86 13.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.88 -60.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -56.92 -42.86 80.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' MET . . . . . 0.463 ' HE3' ' CD2' ' A' ' 117' ' ' LEU . 10.4 mtm -57.23 -44.57 83.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.93 -46.15 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.24 -41.79 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.45 -34.66 67.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 103' ' ' ALA . 52.4 mt -80.0 -32.54 39.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 169' ' ' SER . 7.1 mtt -49.75 -39.1 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' MET . 1.5 t -36.92 -39.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -51.41 171.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.3 mt-30 -125.77 -57.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 171' ' ' GLN . 29.7 p -34.48 -55.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 176' ' ' VAL . 9.4 tp -49.84 127.49 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.59 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.12 139.22 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 173' ' ' LEU . 57.5 t -107.83 99.23 28.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.448 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.74 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.73 26.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.91 127.32 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.16 115.2 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 53.6 m-85 -81.99 126.9 32.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.41 141.45 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.04 128.01 34.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.7 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.58 -48.64 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.57 -34.46 78.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -69.68 -48.01 61.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.44 -33.35 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.1 mt -65.44 -44.91 85.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -72.13 -42.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.43 -45.73 82.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 133' ' ' PHE . 5.3 tt -66.64 -46.44 75.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.69 -47.98 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.07 -39.97 72.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 25.9 mt -60.12 -45.51 92.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 96' ' ' LEU . 28.0 mt -67.66 -37.89 83.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.47 -41.96 88.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -42.65 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 167' ' ' LEU . . . -69.08 -42.18 76.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.44 -49.9 71.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -67.48 -25.74 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.28 -38.03 71.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.06 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.0 mp -69.78 -1.05 8.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -89.88 -30.92 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.2 114.75 50.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.3 Cg_endo -69.74 -0.8 7.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.43 -51.9 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG1' ' H ' ' A' ' 114' ' ' SER . 10.3 p -91.82 -54.94 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.467 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 35.4 p -91.87 67.22 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.16 -47.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.47 -42.24 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 122' ' ' VAL . 9.2 tp -60.55 -51.28 70.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 51.9 t80 -54.19 -53.15 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -44.42 -31.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.05 -32.22 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' TYR . 16.8 t30 73.57 54.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 117' ' ' LEU . 7.5 p -88.82 153.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 122' ' ' VAL . 9.6 mp0 -143.69 126.48 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.1 mt -61.37 156.83 18.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 p -124.29 -36.06 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 27.0 ttmt -174.18 147.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 70.5 t -117.05 130.02 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.1 t -111.12 114.45 27.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 133' ' ' PHE . 16.1 tp -109.49 141.2 42.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.9 p -69.84 154.05 95.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.55 30.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.09 0.51 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 96' ' ' LEU . 25.2 m-85 59.82 25.88 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 49.8 m -90.13 -75.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.38 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 30.1 t -126.52 101.89 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.12 141.53 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.04 124.77 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.24 133.53 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.552 ' CZ3' HG22 ' A' ' 142' ' ' THR . 38.6 p-90 -128.66 142.12 51.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -51.9 117.89 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.552 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 15.9 p -111.09 174.91 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' NE2' ' A' ' 148' ' ' GLN . 38.5 p -113.14 162.44 15.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.92 36.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.9 m -132.71 114.74 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.18 -38.33 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.06 -44.56 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.3 tm0? -72.07 -40.2 68.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 8.4 m-20 -67.4 -36.0 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.63 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.441 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -67.04 -49.83 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 18.8 mtp -61.87 -45.79 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 19.7 tt0 -62.0 -39.41 92.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.89 93.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 156' ' ' LEU . 6.1 p -71.67 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.5 tp -65.7 -42.58 91.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.97 -47.18 85.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -71.24 -19.73 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.1 m -95.2 17.19 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.32 -56.94 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.68 -57.24 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -56.76 -45.19 82.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.32 -40.25 77.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 164' ' ' ARG . 13.7 ttp-105 -56.59 -46.03 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -65.85 -41.98 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 52.3 mt -56.89 -34.85 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 13.2 mt -76.16 -37.71 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 19.2 mtt -43.16 -28.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.9 t -46.37 -42.01 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -45.54 171.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 32.7 tt0 -125.81 -57.03 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.1 m -35.49 -58.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 175' ' ' ASN . 2.3 tt -46.53 143.51 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 175' ' ' ASN . 10.8 ptm180 -94.89 -49.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 174' ' ' ARG . 7.1 t-20 -138.72 128.82 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 52.4 t -101.74 99.4 11.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.7 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.22 25.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.336 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.05 129.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.47 118.89 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.562 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -81.97 127.82 33.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.5 t -130.5 143.96 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -71.5 129.05 37.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 91' ' ' ALA . 10.9 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 5.9 p-10 -37.64 -43.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.7 -40.28 88.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.51 -45.68 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -72.46 -35.53 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 30.8 mt -65.95 -45.17 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.08 -39.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.94 -44.39 76.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 100' ' ' LEU . 4.3 tt -67.94 -43.42 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.61 -46.22 73.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.98 -39.14 74.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.523 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 26.6 mt -62.54 -46.83 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' CD1' HD23 ' A' ' 96' ' ' LEU . 33.4 mt -65.37 -37.73 87.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.05 -44.49 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.62 -47.15 67.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.74 88.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.32 -49.51 66.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -70.42 -19.68 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.49 -43.22 50.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.31 -35.85 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 108' ' ' LEU . 3.9 mp -73.79 -3.79 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 43.9 m -92.0 -16.94 25.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -122.17 117.92 29.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.4 Cg_endo -69.67 2.43 3.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -56.22 -50.89 69.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.435 HG11 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -86.56 -68.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' A' ' 117' ' ' LEU . 3.1 m -90.79 76.49 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.1 -47.31 85.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.41 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 114' ' ' SER . 27.7 tp -62.05 -39.09 91.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 57.2 t80 -65.61 -43.77 88.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -52.88 -18.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.08 -23.36 21.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 64.87 45.79 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.44 144.07 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.48 125.7 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.98 149.97 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 t -119.35 -32.57 4.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -173.79 158.05 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.92 133.24 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -110.95 113.66 26.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.0 tp -106.41 141.18 38.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 43.4 p -69.79 151.53 96.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.703 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.11 30.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -86.84 4.06 42.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.437 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 3.7 m-85 57.01 25.14 10.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -75.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.44 149.33 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.6 t -123.97 101.86 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -86.52 140.11 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.46 128.32 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.19 134.84 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CZ3' HG23 ' A' ' 142' ' ' THR . 24.5 p-90 -129.26 142.16 50.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -51.39 125.66 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.546 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 50.2 p -128.35 165.96 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -97.42 -177.49 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.38 5.85 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 107.14 19.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.14 -24.09 16.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.13 -46.73 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.35 -37.7 74.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -62.68 -40.7 97.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.66 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.444 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.3 t60 -64.5 -48.92 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.447 ' HE3' ' CZ3' ' A' ' 140' ' ' TRP . 36.4 mtp -63.77 -44.58 92.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -62.21 -39.16 91.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.36 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 156' ' ' LEU . 4.8 p -71.15 -43.69 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.9 tp -66.88 -40.27 87.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.53 -51.46 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -66.99 -24.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.9 m -90.15 9.04 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -85.4 -48.88 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.33 -59.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -57.13 -41.33 78.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -57.0 -41.71 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -56.3 -45.86 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.17 -34.95 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.53 -34.61 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.56 -32.06 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 23.0 t -41.41 -35.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.98 170.66 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.9 tt0 -118.51 -50.32 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.7 m -34.84 -58.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.91 122.91 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.61 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -115.19 124.46 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 49.7 t -105.03 99.56 20.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.8 169.89 17.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.252 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 134.27 27.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 63.1 mt -91.9 131.0 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.73 116.4 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.1 m-85 -82.02 128.78 34.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.1 t -125.03 142.6 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.15 128.66 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.891 0.376 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -43.26 -56.96 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -56.76 -39.3 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.98 97.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.46 -38.61 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.61 -45.14 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -39.96 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -47.36 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -65.12 -47.03 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -59.38 -48.04 83.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.82 65.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.9 mt -64.94 -47.71 76.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 96' ' ' LEU . 39.9 mt -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 105' ' ' THR . 44.6 t80 -65.39 -38.36 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -42.32 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.61 77.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.55 -28.21 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.07 -37.58 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.17 -37.57 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 117' ' ' LEU . 3.2 mp -72.29 1.68 7.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 90.6 m -93.3 -33.45 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.54 116.18 59.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.7 2.43 3.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.82 -52.52 60.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.488 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.2 p -92.49 -56.15 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.488 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 39.0 p -92.6 71.13 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.99 -47.84 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.87 -42.04 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 108' ' ' LEU . 13.6 tp -60.47 -46.55 89.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.33 -49.95 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -49.2 -22.23 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.0 mt -89.81 -25.72 20.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 31.0 m120 63.67 47.35 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 p -73.29 141.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 119.27 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.86 156.83 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -122.69 -31.94 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -174.33 155.07 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 128' ' ' SER . 68.9 t -123.06 132.53 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.412 ' N ' HG11 ' A' ' 127' ' ' VAL . 4.7 t -109.26 113.18 25.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.504 HD23 ' CE1' ' A' ' 133' ' ' PHE . 12.7 tp -107.25 141.07 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 38.3 p -69.92 153.79 95.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.26 22.21 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.02 16.74 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.504 ' CE1' HD23 ' A' ' 129' ' ' LEU . 9.3 m-85 44.52 27.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.0 t -90.36 -75.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.39 150.95 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.45 102.2 7.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.32 138.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -127.47 126.21 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.01 134.53 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.569 ' CZ3' ' HE2' ' A' ' 152' ' ' MET . 51.1 p-90 -135.59 142.09 45.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.553 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 31.1 mttt -38.73 131.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -134.19 138.12 44.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -90.7 167.05 12.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.1 mt -83.43 26.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.9 m -118.24 107.84 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.0 67.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.03 -45.25 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -68.69 -43.97 74.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.58 -36.65 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.12 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -60.49 -51.4 69.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.569 ' HE2' ' CZ3' ' A' ' 140' ' ' TRP . 11.6 mtp -65.36 -44.36 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.21 -38.59 89.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.62 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.52 -41.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 59.9 tp -68.76 -40.83 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.93 -52.06 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.2 OUTLIER -68.54 -17.75 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -98.5 15.68 24.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.44 -57.73 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.71 -56.72 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.63 -44.11 80.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.0 mtm -58.06 -44.66 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.2 ttm105 -55.89 -45.55 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -65.51 -42.61 91.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 113' ' ' VAL . 50.9 mt -56.08 -35.12 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.41 -39.25 59.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 20.9 mtt -43.21 -34.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.0 t -40.98 -49.04 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -48.34 158.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 172' ' ' THR . 2.7 pm0 -122.52 -29.04 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.435 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 94.3 m -47.22 -58.77 3.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -54.66 177.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.467 ' N ' HD23 ' A' ' 173' ' ' LEU . 16.3 mmt180 -113.76 -69.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -122.19 133.78 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.9 t -108.02 99.67 32.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.4 Cg_endo -69.76 170.06 17.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 133.44 25.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 56.4 mt -91.92 129.08 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 84.4 t -125.19 115.85 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.6 m-85 -81.87 128.07 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 50.8 t -121.98 141.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.05 130.86 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 184' ' ' ASP . 21.4 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' ALA . 66.8 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -40.53 -45.46 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -66.8 -32.98 74.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.71 -47.82 65.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -31.98 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' CE1' ' A' ' 133' ' ' PHE . 29.7 mt -65.53 -45.13 84.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -71.8 -41.79 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 100' ' ' LEU . 5.4 tt -67.74 -45.61 74.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.61 -48.06 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.22 -40.15 71.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.28 -45.79 93.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 96' ' ' LEU . 30.5 mt -66.47 -37.93 86.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.32 -42.87 87.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -70.66 -45.52 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.409 ' CB ' HD23 ' A' ' 167' ' ' LEU . . . -68.17 -37.69 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 179' ' ' ILE . 24.0 mt -63.28 -50.49 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -67.26 -26.8 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.59 -33.35 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 108' ' ' LEU . 7.9 mp -75.37 1.68 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -95.98 -20.07 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 m -117.55 117.39 36.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.534 0.683 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.532 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.77 -19.07 36.57 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tm-20 -37.85 -52.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.0 p -92.63 -56.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.492 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 53.7 p -92.67 67.01 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.17 -47.38 86.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -41.97 93.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -63.57 -44.81 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.532 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.0 -43.33 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.34 -34.25 60.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 152' ' ' MET . 17.1 mt -81.43 -8.76 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.7 m120 45.16 51.14 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.72 149.89 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -137.58 123.48 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.57 160.31 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.1 p -132.96 -40.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 127' ' ' VAL . 0.8 OUTLIER -159.87 152.22 20.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 126' ' ' LYS . 72.4 t -126.28 129.78 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.5 t -107.59 117.75 34.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 133' ' ' PHE . 18.8 tp -109.48 141.32 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.5 p -69.53 153.57 95.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -29.2 23.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -86.5 6.44 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.445 ' CE1' HD23 ' A' ' 93' ' ' LEU . 18.4 m-85 56.06 28.22 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 42.3 t -90.2 -76.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.53 146.63 23.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.3 t -120.3 101.85 8.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.5 139.72 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.52 125.39 30.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -100.87 129.58 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 142' ' ' THR . 25.4 p-90 -125.76 142.3 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -52.21 128.52 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.574 ' CG2' ' CH2' ' A' ' 140' ' ' TRP . 1.0 OUTLIER -134.98 173.91 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.0 p -95.82 152.86 18.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.22 -10.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.4 m -89.3 121.63 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.4 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.69 -48.2 75.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.477 ' NE2' ' HG3' ' A' ' 152' ' ' MET . 39.5 tp60 -63.27 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -65.35 -37.34 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.66 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.2 t60 -61.22 -51.17 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.477 ' HG3' ' NE2' ' A' ' 148' ' ' GLN . 16.7 mtp -64.49 -40.84 96.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.407 ' OE2' ' C ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.48 -40.96 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.02 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 156' ' ' LEU . 5.5 p -71.26 -43.06 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 181' ' ' PHE . 59.2 tp -66.62 -40.18 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.03 -48.93 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -66.84 -24.21 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -93.33 16.62 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.25 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.96 -59.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -56.82 -42.18 79.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.47 -44.63 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 10.9 ttp-105 -55.78 -44.62 77.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -66.09 -41.84 90.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.22 -34.62 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.409 HD23 ' CB ' ' A' ' 103' ' ' ALA . 19.1 mt -76.57 -37.35 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.31 -35.8 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 168' ' ' MET . 74.0 m -37.88 -49.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -59.06 131.75 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 172' ' ' THR . 2.7 mp0 -84.83 -44.2 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.2 p -36.08 -53.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.85 116.62 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -68.15 -67.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.13 125.86 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 77.2 t -105.71 99.16 20.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.621 0.724 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.33 27.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.442 ' CD1' HD23 ' A' ' 104' ' ' LEU . 61.1 mt -91.86 130.19 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.3 114.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.561 ' CD1' HD21 ' A' ' 156' ' ' LEU . 84.2 m-85 -81.96 132.04 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.29 140.66 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -71.97 129.26 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 184' ' ' ASP . 21.0 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.5 pp20? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLU . 31.0 t70 -34.42 -53.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 3.7 t60 -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.68 -44.04 97.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -70.51 -36.31 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 19.5 mt -62.31 -45.21 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -70.03 -45.1 67.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.07 79.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.8 tt -70.42 -37.67 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . -75.07 -37.57 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.63 -50.01 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.457 ' CD1' HD22 ' A' ' 96' ' ' LEU . 21.5 mt -68.14 -38.57 82.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.11 -39.13 89.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -74.09 -41.41 61.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' A' ' 167' ' ' LEU . . . -70.41 -42.07 72.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.36 -50.38 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 5.8 t -63.64 -34.0 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.94 -41.85 99.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.82 -42.67 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 117' ' ' LEU . 3.6 mp -65.28 -4.91 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 105' ' ' THR . 57.4 m -89.69 -28.03 19.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.27 111.99 52.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.637 0.732 . . . . 0.0 111.098 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.77 1.57 4.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.401 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.48 -51.8 65.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.4 p -91.8 -54.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 55.0 p -91.6 65.74 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.08 -47.11 87.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.69 -42.01 91.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 108' ' ' LEU . 14.5 tp -60.86 -51.23 70.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 45.1 t80 -53.84 -50.06 67.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -43.47 -35.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.424 HD12 ' CE ' ' A' ' 152' ' ' MET . 12.4 mt -80.7 -34.65 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.59 54.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.45 HG22 ' N ' ' A' ' 123' ' ' GLU . 7.2 p -82.98 150.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 122' ' ' VAL . 40.1 mt-10 -133.77 122.62 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.49 151.2 33.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.3 p -119.4 -42.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -165.84 157.47 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.23 128.02 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 t -106.94 116.2 31.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 96' ' ' LEU . 16.4 tp -108.32 140.29 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.5 p -70.74 152.26 95.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -33.35 16.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.404 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.59 0.57 25.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 7.2 m-85 60.98 25.74 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 59.3 m -90.16 -76.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 149.63 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.42 101.93 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.88 140.03 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.06 124.48 26.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.94 133.09 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' HG23 ' A' ' 142' ' ' THR . 28.7 p-90 -127.01 144.24 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -49.66 127.49 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.531 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 3.8 p -132.13 168.52 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.446 ' CG2' ' OE1' ' A' ' 148' ' ' GLN . 82.7 p -89.93 178.48 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -90.8 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -131.3 132.99 44.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.33 75.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.37 -48.08 81.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.446 ' OE1' ' CG2' ' A' ' 143' ' ' THR . 0.9 OUTLIER -65.65 -45.78 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 10.0 m-20 -61.59 -35.92 79.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.09 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.82 -51.1 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.428 ' HG3' ' NE2' ' A' ' 148' ' ' GLN . 12.9 mtp -65.12 -44.89 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 29.5 tt0 -62.15 -37.05 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.43 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.8 p -71.19 -41.37 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.7 tp -69.12 -42.71 75.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.93 -52.04 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -16.88 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.5 m -99.14 9.75 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.02 -45.04 13.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.08 -60.86 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.01 -41.03 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.8 mtm -56.96 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 9.4 ttp-105 -55.93 -46.0 78.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.7 -42.09 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.438 HD11 ' CG2' ' A' ' 113' ' ' VAL . 26.3 mt -57.3 -36.02 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 31.3 mt -78.94 -28.51 43.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -35.79 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 16.1 t -38.52 -35.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -72.15 93.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.3 pp0? -47.86 -40.04 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 37.1 m -34.27 -60.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.94 128.24 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -72.25 -67.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -127.07 124.37 39.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.94 99.18 17.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.8 170.2 17.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 57.0 mt -91.92 127.96 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.82 115.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 62.2 m-85 -81.78 126.62 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.12 144.05 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 77.2 mt-30 -71.03 127.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 2.9 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 91' ' ' ALA . 21.7 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 18.1 m-20 -37.44 -48.77 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -65.12 -36.96 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.26 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -72.8 -33.64 66.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 31.7 mt -65.34 -45.13 85.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -72.04 -43.39 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.5 -43.69 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 133' ' ' PHE . 5.3 tt -66.6 -46.91 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 93' ' ' LEU . 39.8 m-20 -63.23 -45.14 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.26 -36.98 55.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 27.7 mt -64.87 -49.12 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 96' ' ' LEU . 29.5 mt -67.3 -37.35 83.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.86 -42.75 94.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -74.86 -38.88 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HB2' ' CD2' ' A' ' 167' ' ' LEU . . . -68.47 -43.09 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -64.33 -50.45 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -61.22 -32.21 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 -41.0 84.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.73 -41.74 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 108' ' ' LEU . 6.1 mp -70.3 -5.87 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.04 -23.54 21.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -115.89 115.85 40.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.79 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 25.4 pt-20 -53.99 -51.7 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.506 ' CG1' ' H ' ' A' ' 114' ' ' SER . 6.5 p -91.47 -58.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.506 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 10.4 m -92.48 73.63 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -60.59 -46.87 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' C ' ' CD ' ' A' ' 116' ' ' GLU . 2.4 tm-20 -66.21 -42.39 88.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.465 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 12.5 tp -58.44 -44.92 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 60.9 t80 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -43.36 -34.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.7 -33.04 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 118' ' ' TYR . 4.1 t30 73.28 54.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 123' ' ' GLU . 2.7 p -88.6 149.29 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 122' ' ' VAL . 11.7 tp10 -139.81 126.69 20.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.82 157.55 27.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 p -131.33 -37.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 39.4 tttt -165.58 153.23 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 90.3 t -127.13 137.71 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 127' ' ' VAL . 8.1 t -116.4 111.66 20.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -104.08 141.46 36.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 78.5 p -69.4 152.46 96.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.52 26.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -86.12 5.91 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.52 ' CE1' HD21 ' A' ' 129' ' ' LEU . 12.1 m-85 55.56 26.48 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 30.1 t -90.25 -75.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.35 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.6 t -119.81 101.53 7.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' SER . 20.1 mtp180 -96.62 138.5 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.43 136.97 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.93 133.08 45.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.49 ' CE3' HG21 ' A' ' 142' ' ' THR . 25.4 p-90 -120.93 147.0 46.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.61 119.17 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.49 HG21 ' CE3' ' A' ' 140' ' ' TRP . 72.7 p -123.25 170.18 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.4 p -102.27 -176.39 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 tp -91.34 35.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -133.16 123.26 25.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.28 -27.68 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.5 -47.81 82.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.2 pp0? -69.73 -38.09 76.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 17.6 m-80 -62.05 -38.85 90.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.96 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.46 -50.07 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.4 mtp -64.41 -44.39 91.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.4 tt0 -62.47 -38.75 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.74 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.56 -40.95 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.8 tp -69.23 -43.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.05 -52.32 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -65.64 -17.49 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.89 8.89 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.01 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -43.17 -61.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.38 -41.73 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.6 mtm -57.16 -43.73 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.9 ttp-105 -55.82 -46.01 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -63.78 -41.92 97.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 113' ' ' VAL . 28.8 mt -57.87 -35.47 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 24.3 mt -75.18 -35.29 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.3 mtt -45.93 -35.93 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 3.5 t -37.16 -48.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.27 115.97 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 172' ' ' THR . 47.9 tt0 -73.4 -40.04 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 171' ' ' GLN . 5.3 t -33.99 -39.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.77 132.31 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.82 -74.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -115.49 125.24 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.5 t -103.89 99.41 16.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.457 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.71 170.22 17.03 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.83 28.9 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.86 130.19 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.7 115.08 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.564 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 82.3 m-85 -81.89 131.65 35.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.32 143.35 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -72.7 129.24 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.25 -52.58 43.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -60.48 -36.04 77.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.15 75.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -72.44 -31.85 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.525 HD23 ' CZ ' ' A' ' 133' ' ' PHE . 29.2 mt -65.65 -45.06 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -71.92 -40.93 68.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.22 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' A' ' 133' ' ' PHE . 5.5 tt -65.63 -47.05 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.0 83.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.56 -38.09 78.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.81 -49.11 74.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.28 -38.27 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -66.51 -44.69 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.93 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.05 -50.06 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -65.3 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -66.04 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.54 -37.65 88.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 108' ' ' LEU . 3.2 mp -71.7 -0.94 12.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.1 m -90.49 -21.86 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 120.62 28.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 111.122 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.511 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -52.49 -50.59 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -89.81 -67.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.445 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.7 m -90.36 76.96 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.03 -47.48 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.33 -42.16 88.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 20.9 tp -60.97 -36.48 79.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 83.8 t80 -66.83 -51.09 59.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.15 -25.31 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.42 -35.22 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 74.22 50.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 123' ' ' GLU . 6.5 p -83.57 153.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.439 ' N ' HG21 ' A' ' 122' ' ' VAL . 11.8 pt-20 -146.39 124.33 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.5 mt -59.73 145.55 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 t -115.18 -35.47 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 19.0 ttmt -163.63 146.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.459 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 66.6 t -125.66 128.06 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.2 t -107.79 119.11 38.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.6 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 36.1 p -69.81 153.52 95.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.527 0.679 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -35.17 13.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.48 4.06 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.525 ' CZ ' HD23 ' A' ' 93' ' ' LEU . 11.2 m-85 58.42 27.7 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -90.13 -75.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.08 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.33 101.99 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.89 141.41 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.12 21.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -100.96 126.92 47.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 45.4 p-90 -120.75 142.48 49.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' TRP . 16.4 mmtp -36.71 125.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 p -134.08 141.87 47.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.7 t -102.29 -179.69 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 143' ' ' THR . 8.4 tp -82.96 19.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 148' ' ' GLN . 1.1 t -102.13 110.13 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.95 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.91 -48.1 75.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.464 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 0.4 OUTLIER -68.76 -39.8 80.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -61.96 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.77 65.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.71 -50.3 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 26.7 mtp -64.8 -45.39 86.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -62.52 -39.33 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 -44.83 92.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 156' ' ' LEU . 7.6 p -71.48 -41.18 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.551 HD21 ' CD1' ' A' ' 181' ' ' PHE . 61.9 tp -68.29 -41.08 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.83 -51.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -64.64 -22.51 66.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -95.61 17.17 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -54.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.22 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.75 -41.62 77.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -59.82 -44.67 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -56.0 -44.12 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.7 -42.66 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.79 -34.99 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.84 -36.21 62.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.0 mtt -42.79 -32.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 19.1 t -41.49 -56.3 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -40.98 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -123.02 -39.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 73.2 m -38.45 -55.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . 0.43 ' CD1' ' CG2' ' A' ' 176' ' ' VAL . 1.8 pt? -62.69 161.47 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.47 -69.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.47 165.92 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . 0.43 ' CG2' ' CD1' ' A' ' 173' ' ' LEU . 54.5 t -123.71 99.61 38.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.6 Cg_endo -69.76 169.94 17.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.72 21.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 53.4 mt -92.03 125.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.07 116.32 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.551 ' CD1' HD21 ' A' ' 156' ' ' LEU . 78.2 m-85 -82.15 121.68 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.5 t -119.22 143.07 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -71.19 128.01 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -163.65 173.92 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 t -116.99 -47.45 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.47 -110.05 1.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -67.06 171.04 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.2 m -78.06 -60.74 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.17 -129.02 9.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -47.76 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 39.2 pttt -87.24 -46.81 9.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 22.3 tp10 -47.59 -38.51 14.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 27.6 t0 -35.86 -58.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -65.58 -33.03 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.0 -44.2 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -71.66 -36.98 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 133' ' ' PHE . 33.4 mt -65.62 -45.04 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -72.07 -43.94 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.95 -45.76 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 133' ' ' PHE . 5.3 tt -66.19 -46.28 77.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.75 -47.27 85.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.88 -38.47 60.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 173' ' ' LEU . 22.5 mt -60.97 -48.98 79.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' CD1' HD22 ' A' ' 96' ' ' LEU . 32.4 mt -66.46 -38.11 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -66.54 -42.2 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.8 -41.15 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.79 -42.48 73.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.53 -50.22 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.6 t -64.82 -30.46 71.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.65 -41.67 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.04 -34.74 79.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.3 mp -75.52 3.06 10.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.4 m -92.46 -30.85 15.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.5 m -113.76 117.56 44.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.484 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.22 -52.37 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.483 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.3 p -92.19 -55.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.483 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 39.6 p -92.06 70.06 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.38 -47.54 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.66 -42.44 86.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 108' ' ' LEU . 14.5 tp -59.51 -50.41 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.484 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 61.7 t80 -55.47 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -44.23 -30.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.45 -32.59 48.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 118' ' ' TYR . 47.1 t30 73.23 47.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.2 p -80.57 152.26 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -144.58 118.11 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.95 157.66 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.2 p -128.9 -40.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 2.1 tmmm? -160.44 148.62 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.93 127.91 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.7 t -106.46 113.14 26.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.4 tp -109.06 140.52 42.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.0 p -69.86 152.72 95.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 -27.89 26.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -81.6 -1.77 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.556 ' CZ ' HD22 ' A' ' 93' ' ' LEU . 10.5 m-85 62.59 25.73 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 24.2 t -90.0 -76.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.65 147.21 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.2 t -123.73 101.85 7.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.87 141.8 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.73 130.21 39.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -100.96 132.37 46.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 142' ' ' THR . 22.1 p-90 -126.29 142.92 51.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -55.02 115.09 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.567 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.2 p -106.87 165.43 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -88.96 -177.58 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.4 33.74 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -141.5 121.13 13.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.24 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -60.24 -45.62 92.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.2 -45.11 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.58 -37.52 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.62 -49.29 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 23.2 mtp -62.57 -44.96 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.32 -38.77 90.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.59 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.414 ' HA ' ' NH1' ' A' ' 158' ' ' ARG . 5.7 p -71.18 -42.83 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 26.3 tp -67.55 -40.0 84.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.68 -52.04 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.8 ptp85 -66.08 -18.2 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.4 15.13 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -53.82 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.88 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -56.94 -44.15 82.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.3 mtm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.8 ttp-105 -55.84 -43.89 77.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -66.02 -42.27 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.442 ' CD1' HG23 ' A' ' 113' ' ' VAL . 28.8 mt -56.97 -35.07 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 18.0 mt -75.56 -37.66 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.5 mtt -44.21 -39.7 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 22.6 t -36.96 -46.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.32 93.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 44.7 mt-30 -53.55 -40.15 65.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 97.5 m -37.34 -41.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 99' ' ' LEU . 4.1 mm? -67.17 120.77 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -69.51 -70.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.41 120.59 34.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.8 t -102.24 99.41 12.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.4 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.22 27.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.0 mt -91.97 130.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.78 118.53 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.562 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 74.9 m-85 -81.99 131.41 35.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -125.12 141.21 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -71.14 128.92 37.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.2 -55.92 21.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -86.17 38.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -46.81 97.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.432 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -49.22 94.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -118.92 107.12 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -120.8 94.69 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.64 96.06 4.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.82 46.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 192' ' ' GLU . 1.2 pp20? -104.12 39.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.8 mt -93.33 114.23 26.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.93 -51.15 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -94.37 129.81 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 37.8 mt -121.05 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.7 tp -171.95 117.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -62.75 90.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 11.5 p -116.77 127.22 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.2 145.64 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.053 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.35 122.62 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.5 t -162.68 146.13 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -3.49 12.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.328 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 28.0 m -63.77 109.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.8 p -54.49 -49.09 70.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' GLY . 88.4 p 34.38 41.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -43.67 -43.0 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -126.06 7.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -133.08 110.07 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -104.55 100.82 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.44 -114.24 0.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -82.77 158.51 22.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -77.88 -44.83 25.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 9.9 pt-20 -57.23 -49.2 76.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -35.89 -48.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.86 -42.0 99.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 173' ' ' LEU . 0.1 OUTLIER -69.67 -34.43 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 133' ' ' PHE . 20.3 mt -66.24 -44.94 82.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.19 -44.64 71.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.54 -43.72 89.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD2' HD11 ' A' ' 100' ' ' LEU . 5.1 tt -69.23 -45.35 70.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.35 -47.84 75.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.49 -37.01 92.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.4 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 21.1 mt -63.95 -48.9 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 96' ' ' LEU . 44.4 mt -65.28 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -65.88 -43.91 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -42.42 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.81 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.5 mt -66.0 -50.04 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -69.99 -25.31 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -42.81 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.49 -35.14 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 117' ' ' LEU . 3.1 mp -70.31 -4.48 22.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.92 -21.82 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 112.44 36.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.125 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.83 -3.45 12.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.33 -52.24 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 114' ' ' SER . 10.1 p -92.13 -55.12 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.472 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 84.9 p -91.96 66.19 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.24 -46.76 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 108' ' ' LEU . 7.6 tp -60.79 -50.88 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 54.7 t80 -53.48 -52.89 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -40.89 -33.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 mt -80.73 -35.27 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 118' ' ' TYR . 6.9 t30 74.45 53.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 117' ' ' LEU . 3.7 p -81.44 149.41 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.425 ' N ' HG21 ' A' ' 122' ' ' VAL . 4.1 tm-20 -136.7 120.61 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.03 158.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -128.02 -38.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.39 155.29 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.0 t -124.68 131.98 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 137' ' ' ARG . 14.5 t -110.67 111.81 23.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 133' ' ' PHE . 13.9 tp -106.73 141.43 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 23.5 p -69.54 151.68 96.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.21 32.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.99 3.06 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.564 ' CE1' HD23 ' A' ' 93' ' ' LEU . 13.1 m-85 58.5 26.07 13.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 81.7 p -90.24 -76.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.43 144.81 25.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.0 t -123.28 101.61 7.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' SER . 37.6 mtp180 -96.88 140.88 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.65 135.87 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -100.81 131.86 46.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.56 ' CZ3' HG23 ' A' ' 142' ' ' THR . 14.4 p-90 -121.99 142.72 50.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -54.04 120.27 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.56 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -121.3 171.99 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.467 HG21 ' NE2' ' A' ' 148' ' ' GLN . 19.2 p -101.2 177.01 5.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.48 20.94 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.5 m -118.36 126.47 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -47.81 83.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.467 ' NE2' HG21 ' A' ' 143' ' ' THR . 0.1 OUTLIER -70.74 -41.06 72.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.31 -36.15 83.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -69.16 -49.48 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 41.2 mtp -60.38 -44.97 95.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.38 -39.02 91.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.13 -44.74 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.5 p -71.4 -41.12 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 54.3 tp -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -61.38 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 0.7 OUTLIER -65.51 -17.23 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.71 9.8 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.06 -49.25 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.79 -61.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -56.76 -43.3 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.1 mtm -57.05 -41.45 78.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.8 -46.02 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.09 -42.52 89.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.64 -34.93 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 169' ' ' SER . 10.7 mt -75.36 -41.24 56.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 167' ' ' LEU . 16.7 mtt -37.87 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 167' ' ' LEU . 66.5 m -46.74 -51.21 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -37.79 135.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.54 39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 62.5 m -120.62 -52.84 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 176' ' ' VAL . 2.4 pp -65.06 170.55 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.35 -75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -116.6 155.69 28.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.43 ' CG2' HD13 ' A' ' 173' ' ' LEU . 46.1 t -120.0 98.63 49.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.73 170.13 17.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.55 28.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.87 127.2 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.17 116.02 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.0 m-85 -81.85 132.44 35.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.82 143.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.59 128.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -41.86 -63.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -84.87 150.79 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -106.17 105.29 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -67.79 94.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -105.09 123.54 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -131.92 38.27 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -57.49 146.53 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -134.01 40.49 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -108.92 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 49.7 mt -95.25 137.47 34.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.28 106.08 5.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.82 107.96 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.55 150.67 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.8 tt -167.41 126.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -151.94 136.91 17.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.2 137.62 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -112.08 86.82 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -120.7 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 93.6 p -172.09 109.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -160.87 86.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 158.28 57.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 61.4 p -102.12 160.44 14.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 87.3 p -145.71 171.03 15.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -78.58 -40.94 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.6 t -89.76 95.3 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.78 99.24 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.7 p -80.86 -46.59 15.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 m -136.43 161.57 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.93 -88.22 2.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -61.49 138.96 58.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -54.96 -42.22 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.8 mm-40 -42.85 -45.73 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -39.63 -44.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -63.2 -38.54 91.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.83 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -72.27 -32.75 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 133' ' ' PHE . 31.3 mt -66.04 -45.15 82.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -72.2 -44.3 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.08 -48.02 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 100' ' ' LEU . 5.4 tt -64.8 -46.65 81.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.66 -48.11 82.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.73 -34.89 62.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.9 mt -66.24 -46.93 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 34.5 mt -66.79 -38.17 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -66.91 -42.81 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -72.07 -42.85 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' CB ' HD23 ' A' ' 167' ' ' LEU . . . -69.78 -40.93 75.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.05 -50.04 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.7 t -67.61 -27.29 66.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.99 -41.13 82.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.51 -33.42 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 108' ' ' LEU . 3.4 mp -72.62 -0.47 13.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.1 m -91.63 -27.96 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.23 113.79 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.6 -51.65 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.6 p -91.65 -54.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.474 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 28.5 p -91.78 65.09 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.01 -47.29 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -42.13 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.4 tp -61.66 -46.66 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 40.9 t80 -56.93 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -45.36 -36.16 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.42 -29.5 47.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 t30 67.18 52.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.89 147.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -130.87 117.86 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.22 148.74 49.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.2 t -114.65 -41.74 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -168.71 159.85 10.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.5 t -123.41 129.33 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.7 t -108.03 114.93 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.2 tp -110.53 141.17 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.2 p -69.86 153.51 95.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.12 31.22 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.92 0.59 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 93' ' ' LEU . 10.4 m-85 59.92 24.94 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.2 t -90.16 -75.15 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.39 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.47 101.87 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -87.75 141.04 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.96 126.51 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -101.35 131.52 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.547 ' CZ3' HG22 ' A' ' 142' ' ' THR . 39.5 p-90 -125.53 148.48 48.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -56.36 122.81 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.547 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -122.99 173.18 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.1 p -98.37 175.67 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.5 tt -88.13 36.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 m -137.03 131.86 33.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.0 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.77 -45.4 94.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.46 -40.54 85.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.1 -38.72 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.02 -46.61 86.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.459 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.6 t60 -60.74 -49.83 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.798 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.402 ' HE1' ' CZ3' ' A' ' 140' ' ' TRP . 38.3 mtp -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -62.48 -38.34 89.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.9 83.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.43 -41.07 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 49.5 tp -68.37 -45.77 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -59.11 -51.28 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 159' ' ' SER . 3.3 ptp180 -58.31 -32.92 68.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -88.54 18.3 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.1 -47.5 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.25 -42.03 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.4 mtm -58.58 -40.91 84.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -55.47 -46.22 76.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.38 -41.95 88.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.8 mt -55.29 -34.92 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.428 HD23 ' CB ' ' A' ' 103' ' ' ALA . 12.3 mt -80.26 -33.8 37.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.2 mmt -49.0 -24.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.6 m -50.77 -42.89 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -45.25 163.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 172' ' ' THR . 14.4 pt20 -121.14 -37.98 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 171' ' ' GLN . 35.7 m -36.99 -72.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 176' ' ' VAL . 1.2 pt? -51.42 170.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -110.44 -36.08 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.448 ' HB3' ' CD ' ' A' ' 174' ' ' ARG . 9.4 p-10 -139.52 150.28 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 173' ' ' LEU . 37.8 t -117.26 99.13 52.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 111.185 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.51 21.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.28 23.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.93 122.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.1 115.85 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.568 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 56.9 m-85 -81.99 124.28 29.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 88.9 t -123.93 138.09 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.53 127.96 34.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -89.13 -58.56 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 67.53 -83.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -131.89 112.9 12.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -107.97 -46.99 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -98.55 87.11 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.0 165.63 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -92.37 169.95 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.29 42.03 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 193' ' ' LEU . 0.4 OUTLIER -48.69 133.12 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -127.59 137.14 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -85.73 115.8 23.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.8 mt -115.98 162.63 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.4 pp -113.63 176.12 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -162.89 175.03 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 36.0 m -123.5 159.37 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -165.93 155.0 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.78 155.63 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 46.5 t -153.47 150.44 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -167.56 85.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 96.1 p -150.03 175.72 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 p -163.04 168.61 20.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t -171.24 172.6 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 m -157.43 135.91 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -105.13 88.34 0.58 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.2 m -93.43 95.85 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 m -128.95 137.63 51.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.78 -142.74 14.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 153.72 25.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.15 -46.03 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.7 mm-40 -41.29 -47.3 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' GLU . 28.5 m-20 -36.96 -48.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.05 -39.05 93.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -67.32 -47.12 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -70.97 -32.47 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 133' ' ' PHE . 28.6 mt -65.61 -45.1 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.08 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.43 -45.93 78.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.59 -47.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.38 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -36.69 68.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 20.9 mt -63.81 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.46 -38.32 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -65.41 -42.83 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -39.57 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.39 -42.89 74.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.98 -50.34 71.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.9 -38.18 82.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.64 -36.04 75.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' N ' HD11 ' A' ' 108' ' ' LEU . 3.3 mp -75.78 5.57 6.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.3 m -96.57 -28.57 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -112.17 115.78 49.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.73 3.15 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -58.14 -51.99 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.5 p -91.86 -54.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.477 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 76.9 p -91.89 64.86 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.51 -46.61 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -65.25 -39.71 93.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' N ' ' HG2' ' A' ' 116' ' ' GLU . 9.1 tp -64.44 -51.11 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 38.3 t80 -52.83 -49.67 65.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -41.67 -30.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.46 HD11 ' CE ' ' A' ' 152' ' ' MET . 17.5 mt -87.5 -32.7 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 118' ' ' TYR . 7.1 t-20 71.91 54.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 123' ' ' GLU . 3.4 p -79.54 151.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.465 ' N ' HG22 ' A' ' 122' ' ' VAL . 27.2 mt-10 -137.23 125.09 22.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.57 156.5 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.4 p -128.31 -39.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 21.3 ttpt -167.75 150.56 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.47 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 48.2 t -124.89 126.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -108.98 118.23 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 133' ' ' PHE . 12.4 tp -110.36 141.1 43.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -69.82 153.94 95.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.701 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.46 31.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.26 3.11 53.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 129' ' ' LEU . 21.7 m-85 58.56 28.15 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.4 m -90.36 -76.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.83 151.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.9 t -129.63 101.76 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.63 141.15 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.4 124.67 26.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -100.65 132.48 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.559 ' CH2' HG22 ' A' ' 142' ' ' THR . 18.8 p-90 -123.6 160.24 27.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.33 119.76 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.559 HG22 ' CH2' ' A' ' 140' ' ' TRP . 18.7 p -113.86 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.0 p -89.52 -177.93 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 tp -80.62 -23.94 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.5 m -90.11 130.32 36.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.36 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.98 -48.02 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 14.7 tm0? -61.34 -38.24 86.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.86 -37.17 86.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.53 -47.69 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.7 t60 -61.01 -50.98 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.46 ' CE ' HD11 ' A' ' 120' ' ' LEU . 8.5 mtp -65.11 -42.92 93.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 116' ' ' GLU . 5.4 p -71.3 -41.76 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.9 tp -66.97 -44.77 79.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.99 -50.68 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -62.5 -28.54 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -86.58 18.26 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.91 -46.32 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.36 -60.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -56.97 -41.34 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.3 mtt -56.86 -47.86 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.81 -45.99 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.59 -42.82 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.62 -36.93 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 42.5 mt -72.84 -40.75 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 169' ' ' SER . 22.0 mtt -40.78 -39.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 168' ' ' MET . 4.9 t -37.24 -43.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -51.72 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 172' ' ' THR . 29.9 tp60 -128.73 -56.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.0 p -37.08 -35.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.87 135.75 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.57 -73.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.95 137.96 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 83.9 t -116.25 99.4 52.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.668 0.747 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.422 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.79 170.08 17.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 131.39 21.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 60.8 mt -91.87 125.06 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.42 116.77 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.571 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.84 124.76 29.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.78 143.77 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.72 133.88 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.36 49.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -124.96 127.44 47.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -76.86 51.09 3.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -112.6 97.53 6.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -104.34 99.84 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -102.54 82.3 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.2 tp -112.98 41.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -89.69 35.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -115.34 96.96 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 64.4 mt -90.16 151.41 21.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -121.36 115.54 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -99.63 120.56 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.91 135.02 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 6.4 tp -157.56 120.3 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -156.8 116.99 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 200' ' ' ALA . 91.1 t -139.96 136.89 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 199' ' ' VAL . . . -173.47 117.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -82.32 87.76 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.6 t -122.87 139.89 53.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -152.83 76.1 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 165.25 31.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 2.4 m -159.59 110.9 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -92.63 85.89 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -92.25 109.56 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 p -69.59 114.81 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -167.41 -116.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.5 p -54.12 100.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 t -136.1 122.5 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.43 -38.11 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -58.03 171.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -52.19 -47.49 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.1 mt-10 -38.52 -49.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -38.68 -51.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.56 -36.63 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.72 -47.9 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.32 -34.3 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.493 HD23 ' CE1' ' A' ' 133' ' ' PHE . 23.8 mt -64.04 -44.82 91.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -70.76 -43.09 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.57 -41.33 88.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 133' ' ' PHE . 5.2 tt -69.37 -45.75 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.16 -46.03 82.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.03 -41.4 71.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 173' ' ' LEU . 26.4 mt -60.27 -46.96 88.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 96' ' ' LEU . 44.0 mt -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.02 -44.72 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -69.74 -46.62 65.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.66 88.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 mt -65.87 -50.09 65.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -62.91 -28.15 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.28 -46.11 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.32 -32.71 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 108' ' ' LEU . 3.2 mp -76.68 -1.0 25.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 96.2 m -95.1 -17.34 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.401 ' CG2' ' OE1' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -117.79 113.61 37.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.145 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.8 -2.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' OE1' ' CG2' ' A' ' 110' ' ' THR . 28.5 mt-10 -54.89 -51.78 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.9 p -92.06 -55.27 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.475 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 0.3 OUTLIER -92.14 65.47 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.76 -47.15 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.46 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 15.0 tp -62.91 -51.35 67.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 46.6 t80 -51.65 -48.21 63.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -23.08 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 43.7 mt -90.21 -34.58 15.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.9 44.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.35 157.68 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -144.42 122.91 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.3 mt -63.03 145.51 55.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.3 p -114.12 -36.17 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -173.89 155.79 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 128' ' ' SER . 97.1 t -125.61 132.69 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 127' ' ' VAL . 3.3 t -112.83 118.29 34.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 133' ' ' PHE . 15.3 tp -110.93 141.2 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.456 HG22 ' CZ ' ' A' ' 137' ' ' ARG . 1.6 p -69.71 156.16 92.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.55 29.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.73 4.36 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 96' ' ' LEU . 7.5 m-85 54.98 25.5 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 17.3 t -90.06 -75.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.04 151.66 21.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.7 t -131.15 101.92 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.456 ' CZ ' HG22 ' A' ' 130' ' ' THR . 0.2 OUTLIER -85.52 141.73 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -130.76 125.64 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -100.93 131.31 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.438 ' CZ3' HG22 ' A' ' 142' ' ' THR . 33.3 p-90 -125.07 142.79 51.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -41.59 124.1 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.438 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 11.5 p -134.9 -176.38 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.1 t -137.79 177.0 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 143' ' ' THR . 13.6 tp -77.01 5.91 7.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -91.27 103.97 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.68 -48.0 78.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.448 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 1.5 pp0? -69.52 -36.98 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.433 ' OD1' ' NE2' ' A' ' 148' ' ' GLN . 63.9 m-20 -68.52 -38.09 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.64 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 3.4 t60 -67.45 -47.92 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 37.8 mtp -64.42 -42.56 95.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.12 98.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.93 92.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.47 -40.72 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 181' ' ' PHE . 60.6 tp -66.05 -42.69 89.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -62.18 -51.96 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.437 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -63.52 -14.09 47.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 18.1 m -103.98 6.27 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.7 -49.1 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.91 -59.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -56.86 -43.18 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' MET . . . . . 0.401 ' HE2' ' CD2' ' A' ' 117' ' ' LEU . 6.9 mtm -57.74 -43.05 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -55.96 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -63.99 -44.99 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 57.2 mt -55.53 -34.92 65.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.417 ' O ' ' CD ' ' A' ' 170' ' ' GLN . 13.6 mt -73.87 -39.03 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.5 mtt -41.98 -40.07 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 8.2 t -38.77 -53.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 167' ' ' LEU . 4.7 mp0 -54.25 93.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.6 pt20 -54.72 -39.44 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 171' ' ' GLN . 10.5 t -34.73 -40.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.464 ' CD2' HD12 ' A' ' 99' ' ' LEU . 9.2 mt -78.79 118.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -62.18 -69.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 175' ' ' ASN . 1.0 OUTLIER -119.9 131.87 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.8 t -109.59 99.41 37.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.0 Cg_endo -69.77 170.0 17.6 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 134.32 27.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 180' ' ' VAL . 63.3 mt -92.79 135.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.456 ' N ' HG23 ' A' ' 179' ' ' ILE . 47.6 t -130.25 117.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 156' ' ' LEU . 71.0 m-85 -82.08 126.38 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.27 143.92 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.05 131.85 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.94 -53.97 52.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -97.54 106.6 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -91.48 37.51 3.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -44.45 129.74 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.42 101.74 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -129.53 53.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 tt -91.0 65.87 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -131.46 78.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -112.2 98.95 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 40.7 mt -100.7 37.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -123.66 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -128.71 102.59 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 197' ' ' LEU . 9.3 tt -132.19 144.31 50.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.414 ' C ' HD21 ' A' ' 196' ' ' LEU . 14.9 tp -70.57 110.67 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -155.69 118.24 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.57 103.57 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -77.26 -46.11 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -119.38 155.38 32.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 69.8 m -40.53 -59.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 77.03 146.29 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 94.3 p -70.07 -43.67 70.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.4 m -54.99 -59.95 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 m -136.38 141.73 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 p -173.64 109.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.92 -154.94 14.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -82.17 142.0 32.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -61.04 141.52 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.02 -49.24 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -60.63 141.66 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.26 -40.52 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.9 mm-40 -39.82 -43.23 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.82 -45.3 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -65.39 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.57 -47.17 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 13.7 ttm105 -71.39 -29.02 64.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.46 -44.9 85.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -71.91 -44.35 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.67 -46.52 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 100' ' ' LEU . 5.2 tt -66.09 -46.96 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.4 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.58 62.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 21.5 mt -62.46 -49.34 75.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 35.7 mt -67.05 -39.72 86.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.403 ' O ' ' CG2' ' A' ' 105' ' ' THR . 60.6 t80 -66.75 -42.49 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.7 -41.15 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.434 ' CB ' HD21 ' A' ' 167' ' ' LEU . . . -69.25 -42.77 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.3 -50.49 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 101' ' ' TYR . 7.5 t -65.04 -28.13 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.39 -35.0 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.69 -34.66 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 108' ' ' LEU . 3.6 mp -74.67 1.57 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.43 -34.04 15.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m -108.68 117.0 55.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.2 2.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.232 . . . . 0.0 112.354 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.67 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.0 p -92.62 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.485 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 25.6 p -92.61 68.52 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -60.17 -47.46 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.77 -41.97 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.27 -40.81 97.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 63.1 t80 -61.66 -51.79 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -45.39 -33.01 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.72 -30.81 56.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' TYR . 65.0 t30 68.41 44.57 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 123' ' ' GLU . 7.2 p -78.48 147.45 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 122' ' ' VAL . 35.2 mt-10 -135.03 123.53 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.0 mt -50.57 153.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -120.34 -40.89 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 24.7 ttmt -170.36 147.43 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.464 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 96.3 t -121.45 126.53 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.8 t -109.08 119.01 38.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.6 tp -109.51 139.59 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.424 HG23 ' CZ ' ' A' ' 137' ' ' ARG . 19.1 p -70.04 154.24 94.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -24.1 30.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.42 4.85 37.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 129' ' ' LEU . 8.6 m-85 54.51 25.07 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.85 -73.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.39 148.4 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.5 t -126.55 102.55 7.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.424 ' CZ ' HG23 ' A' ' 130' ' ' THR . 0.2 OUTLIER -84.92 140.76 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.69 120.62 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -100.99 127.38 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.533 ' CZ3' HG23 ' A' ' 142' ' ' THR . 26.0 p-90 -120.1 155.99 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -58.41 122.09 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.533 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 44.0 p -123.1 158.59 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.9 p -89.66 171.76 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.5 tp -85.85 35.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.3 m -137.17 122.74 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.14 96.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.87 -47.42 85.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.57 -43.07 90.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.31 -35.9 80.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.57 -49.84 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.1 t60 -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 19.8 mtp -64.43 -45.0 89.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.0 -36.9 82.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.36 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.29 -40.87 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 40.8 tp -69.35 -44.34 71.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.1 -52.13 65.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.9 ppt_? -64.01 -14.25 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.7 m -103.35 18.1 22.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.96 -50.55 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -59.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -56.81 -42.92 80.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 3.9 mtm -56.92 -46.31 82.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -55.85 -45.02 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.39 -42.42 92.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.9 mt -55.78 -37.04 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 103' ' ' ALA . 56.3 mt -74.27 -38.11 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.8 mtt -45.83 -30.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.7 t -40.33 -46.82 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -78.1 138.69 38.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 36.8 mm-40 -101.34 -32.71 10.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 57.5 m -37.29 -52.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 176' ' ' VAL . 4.4 pp -60.25 171.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 175' ' ' ASN . 21.5 mmt180 -103.98 -174.65 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 174' ' ' ARG . 8.8 t30 -34.1 127.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.447 ' CG2' HD11 ' A' ' 173' ' ' LEU . 58.2 t -102.32 98.92 11.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.07 17.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.84 24.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 61.7 mt -91.93 130.78 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 42.5 t -122.35 116.42 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 68.6 m-85 -82.0 121.17 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.73 143.99 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 40.1 mt-30 -71.22 128.46 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 0.4 OUTLIER -35.94 -54.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 72.04 -66.15 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -139.2 164.42 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -114.8 151.15 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -105.47 83.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.37 139.96 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -126.25 86.33 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -127.43 89.69 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 193' ' ' LEU . 0.1 OUTLIER -121.38 85.0 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.78 102.33 14.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -130.31 132.21 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 196' ' ' LEU . 10.3 tt -130.23 133.94 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 2.1 tt -139.61 109.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -136.07 114.29 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.93 100.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -102.05 95.18 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.65 149.05 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.6 m -158.53 171.26 20.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 165.07 138.04 2.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.35 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 8.5 t -73.65 -53.11 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.9 t -53.86 124.34 15.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.9 p -101.65 155.12 18.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 p -168.68 109.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.53 57.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -101.47 86.71 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -172.14 119.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.67 -140.95 31.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -62.08 -38.32 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -47.07 -42.29 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -43.75 -39.74 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -43.19 -43.43 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -67.98 -38.25 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.2 -47.76 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -71.9 -37.32 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.554 HD23 ' CZ ' ' A' ' 133' ' ' PHE . 32.4 mt -65.69 -45.24 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -72.24 -41.69 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.36 -48.9 68.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -63.92 -47.05 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.3 -36.08 83.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.06 -45.9 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 96' ' ' LEU . 36.8 mt -66.65 -36.14 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -66.61 -41.47 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.93 -42.92 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 167' ' ' LEU . . . -69.98 -40.57 75.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 HD21 ' CD1' ' A' ' 179' ' ' ILE . 35.3 mt -63.46 -50.11 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 10.2 t -66.72 -28.24 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.63 -40.84 84.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.94 -38.42 91.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 mp -70.16 -2.18 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 105' ' ' THR . 70.3 m -89.71 -26.9 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 114.5 42.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.517 0.675 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.477 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.75 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.76 -52.07 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.511 ' CG1' ' H ' ' A' ' 114' ' ' SER . 7.4 p -91.94 -58.42 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.511 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 37.3 m -92.73 69.13 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.5 -47.03 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.38 -42.31 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 122' ' ' VAL . 7.6 tp -59.59 -51.19 70.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.477 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 47.0 t80 -52.03 -49.54 63.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.72 -40.33 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.15 -26.38 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' TYR . 11.2 m120 62.43 54.49 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 123' ' ' GLU . 7.4 p -80.12 150.59 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 122' ' ' VAL . 12.4 pt-20 -134.3 123.75 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.64 157.86 22.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 t -127.68 -40.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -164.12 159.02 19.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.72 127.44 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -103.21 113.3 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.0 tp -107.68 140.98 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 p -69.98 151.26 96.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -26.1 27.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.3 6.25 37.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.554 ' CZ ' HD23 ' A' ' 93' ' ' LEU . 27.3 m-85 56.64 27.56 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.0 t -90.13 -76.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 153.49 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 14.3 t -129.58 102.42 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.37 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.6 127.14 36.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.95 134.78 43.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.552 ' CZ3' HG23 ' A' ' 142' ' ' THR . 39.8 p-90 -130.42 142.24 50.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.552 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 81.2 p -124.2 170.33 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.452 HG21 ' NE2' ' A' ' 148' ' ' GLN . 65.1 p -97.66 170.41 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -86.85 34.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 m -132.73 117.98 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.57 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.23 -45.8 83.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.452 ' NE2' HG21 ' A' ' 143' ' ' THR . 1.6 tm0? -69.27 -46.02 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -60.17 -38.33 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.08 64.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -61.8 -50.48 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.433 ' O ' ' CG1' ' A' ' 155' ' ' VAL . 15.7 mtp -62.93 -45.84 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -62.1 -37.32 84.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.14 90.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.1 p -70.9 -40.78 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 61.4 tp -69.13 -45.25 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.14 -52.16 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.3 ppt_? -64.31 -17.24 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.7 m -101.38 13.69 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.79 -47.95 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -62.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -56.95 -42.78 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.7 mtm -57.37 -40.05 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -55.9 -45.4 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -66.07 -41.81 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 113' ' ' VAL . 46.1 mt -57.06 -34.63 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 28.9 mt -79.07 -32.99 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.3 mmt -50.42 -34.82 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.7 t -40.54 -44.46 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.66 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -85.82 44.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 55.1 m -115.47 -64.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.435 ' CD1' HG23 ' A' ' 176' ' ' VAL . 1.2 pt? -52.98 177.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -94.11 -69.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 142.69 51.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.435 HG23 ' CD1' ' A' ' 173' ' ' LEU . 46.2 t -105.18 99.22 18.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.7 169.96 17.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.0 24.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 104' ' ' LEU . 63.3 mt -91.93 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.27 115.14 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.8 m-85 -82.07 129.6 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.15 137.59 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -75.37 128.18 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.0 -62.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -41.65 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 39.76 78.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -91.08 138.96 31.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -122.17 87.18 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -100.98 88.69 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 33.9 mt -51.31 137.05 23.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -124.73 40.99 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -124.22 43.88 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 28.6 mt -86.81 119.43 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -110.66 110.82 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -102.87 78.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.15 91.14 4.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.5 tt -174.48 125.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -146.87 131.35 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.7 138.57 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -173.5 119.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -103.32 161.7 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 3.1 t -168.85 148.09 4.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 168.34 60.23 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -176.94 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 15.5 t -171.42 172.27 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 57.9 m 45.49 47.01 11.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.6 m -137.12 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -86.84 124.07 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.9 115.88 0.5 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.4 p -107.07 81.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.8 p -133.99 179.57 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.25 68.86 0.87 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.01 175.04 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -35.1 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.6 mt-10 -52.96 -47.69 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -36.88 -52.63 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.1 -36.47 84.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.27 -48.07 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -32.42 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.6 mt -64.81 -45.02 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.28 -44.28 72.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.76 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 133' ' ' PHE . 5.0 tt -67.6 -40.87 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.96 -47.77 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.28 -39.52 71.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 96' ' ' LEU . 28.9 mt -64.88 -40.99 95.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.05 -40.97 91.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -73.02 -41.14 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.68 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 179' ' ' ILE . 25.1 mt -64.13 -50.3 68.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.7 t -63.76 -32.24 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -39.81 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.77 -37.54 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 108' ' ' LEU . 3.4 mp -71.27 -1.82 14.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 65.0 m -90.24 -27.21 19.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.26 111.32 64.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.44 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.81 4.7 2.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -51.7 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.7 p -91.54 -54.63 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.472 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 11.2 p -91.75 52.58 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.64 -47.35 82.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.64 -42.24 99.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 122' ' ' VAL . 25.9 tp -69.03 -36.69 78.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 39.0 t80 -60.22 -44.0 95.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.65 -28.21 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.42 -16.71 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.0 t30 52.95 54.77 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 117' ' ' LEU . 8.8 p -85.7 147.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 122' ' ' VAL . 39.2 mt-10 -132.2 117.83 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.92 144.13 29.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -111.18 -41.45 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 139' ' ' TYR . 13.4 pttp -166.32 160.08 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -128.56 128.71 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.7 t -109.76 113.21 25.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 19.1 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 p -69.73 153.24 95.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.73 23.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.67 -0.77 44.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 96' ' ' LEU . 16.0 m-85 62.46 28.53 16.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -90.28 -77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.94 148.73 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -123.61 101.79 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.81 138.95 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.87 123.0 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.426 ' HB2' ' CG ' ' A' ' 126' ' ' LYS . 5.8 m-85 -100.95 124.08 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.508 ' CE3' ' O ' ' A' ' 141' ' ' LYS . 42.7 p-90 -121.54 143.26 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.508 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -37.42 134.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.8 p -141.48 140.92 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.456 HG21 ' NE2' ' A' ' 148' ' ' GLN . 2.8 t -96.88 175.96 6.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.415 ' N ' ' OG1' ' A' ' 143' ' ' THR . 1.4 tt -84.01 23.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.11 98.36 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.18 -32.6 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.81 -46.14 86.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.456 ' NE2' HG21 ' A' ' 143' ' ' THR . 28.1 tt0 -71.57 -39.76 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 93.9 m-20 -65.86 -41.0 92.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.36 -49.77 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -67.59 -48.99 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 140' ' ' TRP . 35.8 mtp -62.45 -44.17 97.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.8 tt0 -62.37 -40.05 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.69 92.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.4 p -71.45 -41.75 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.3 tp -67.83 -41.22 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -61.79 -51.17 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -63.64 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -81.99 15.78 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.06 -54.3 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.87 -58.67 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -56.89 -44.31 82.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.7 mtm -57.38 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.83 -44.06 77.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -64.92 -42.24 94.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.414 ' CD1' HG22 ' A' ' 113' ' ' VAL . 57.2 mt -58.13 -34.99 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.2 mt -76.33 -33.74 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 25.7 mtt -51.64 -33.58 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 22.5 m -40.69 -43.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.28 97.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.5 mp0 -57.27 -35.53 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.0 m -35.42 -54.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.45 127.68 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.61 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -127.46 131.98 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 80.4 t -110.95 99.36 42.41 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.7 Cg_endo -69.73 170.04 17.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 133.76 26.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.734 2.29 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.465 ' CD1' HD23 ' A' ' 104' ' ' LEU . 63.9 mt -91.93 124.1 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.18 117.22 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.569 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 69.3 m-85 -81.9 132.57 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.73 142.45 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.88 127.93 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -38.4 -40.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -126.6 -49.02 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 79.46 -63.58 3.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 190' ' ' LEU . 15.8 p-10 -125.15 83.35 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -91.74 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -121.82 80.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 187' ' ' ASN . 77.9 mt -85.26 40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -138.47 172.4 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.01 85.12 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 47.9 mt -79.34 94.01 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -122.41 108.07 12.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -112.1 119.9 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -128.14 97.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 4.8 tt -161.78 123.15 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -173.8 128.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.09 170.37 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.06 153.75 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.89 174.0 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 78.2 p -111.52 140.17 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 103.72 65.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.18 8.44 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 206' ' ' SER . 8.8 t -140.32 141.44 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 205' ' ' SER . 97.5 p 35.82 42.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m -58.83 143.35 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 m -110.99 152.06 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -96.21 -153.83 30.01 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -119.1 -45.4 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 t 49.68 42.35 23.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.51 -73.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -67.44 105.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -78.75 -38.12 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -39.64 -30.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.75 -46.45 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -67.77 -40.22 84.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.89 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -72.62 -33.07 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.88 -44.55 89.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -71.46 -43.1 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.53 -44.28 82.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.8 tt -65.8 -46.7 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.2 -47.41 86.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.88 60.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 23.2 mt -63.35 -50.07 71.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 96' ' ' LEU . 30.4 mt -67.95 -40.35 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -66.16 -42.61 88.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -72.87 -41.1 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 167' ' ' LEU . . . -69.81 -41.97 74.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.072 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.28 -50.32 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.4 t -64.6 -31.2 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.96 -35.56 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.37 -36.43 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.3 mp -73.1 0.61 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.87 -25.26 21.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -117.81 116.12 36.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 111.177 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.471 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.72 3.52 2.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.504 ' CG1' ' H ' ' A' ' 114' ' ' SER . 6.3 p -91.94 -58.69 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.504 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 68.0 m -92.37 69.59 5.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -60.45 -46.5 89.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.33 -42.42 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 11.8 tp -60.38 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 57.7 t80 -56.09 -50.53 70.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.92 -40.9 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.05 -28.77 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 118' ' ' TYR . 2.9 t-20 64.62 54.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 123' ' ' GLU . 7.3 p -76.9 150.25 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' ' 122' ' ' VAL . 28.9 mt-10 -131.44 121.47 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.8 146.51 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.4 t -111.75 -43.99 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -167.39 158.59 11.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 128' ' ' SER . 96.9 t -125.44 134.81 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' ARG . 7.6 p -112.89 118.75 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 96' ' ' LEU . 15.9 tp -110.55 141.45 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.4 p -69.57 152.82 96.16 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -25.88 28.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.17 2.25 40.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 58.1 25.73 12.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.9 t -90.27 -76.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.78 149.15 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 18.7 t -126.87 101.6 6.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 128' ' ' SER . 1.6 mpt_? -90.59 141.35 28.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.98 128.59 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.93 132.06 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.541 ' CZ3' ' HE2' ' A' ' 152' ' ' MET . 32.6 p-90 -129.01 148.61 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -54.86 126.21 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.522 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 39.1 p -123.87 159.72 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.424 HG23 ' NE2' ' A' ' 148' ' ' GLN . 68.4 p -91.16 172.71 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.51 36.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -134.25 122.33 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.58 -44.32 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.432 ' C ' ' OE1' ' A' ' 148' ' ' GLN . 1.2 tm0? -69.52 -44.9 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.0 -50.03 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -61.66 -50.38 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.541 ' HE2' ' CZ3' ' A' ' 140' ' ' TRP . 28.1 mtp -61.82 -45.54 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.48 86.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.4 p -71.08 -41.14 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 62.9 tp -69.28 -45.69 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.11 -52.28 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -16.16 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.2 m -101.67 17.07 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.53 -47.75 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.04 -44.22 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 178' ' ' PRO . 18.7 ttm180 -55.79 -45.9 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.86 -42.34 90.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 113' ' ' VAL . 35.3 mt -56.06 -34.87 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 51.0 mt -77.63 -36.36 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.48 -36.82 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 168' ' ' MET . 11.2 t -37.68 -44.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . 0.445 ' N ' ' CD ' ' A' ' 170' ' ' GLN . 0.4 OUTLIER -53.42 160.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.9 mp0 -116.24 -43.62 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.2 p -34.12 -64.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -49.54 163.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -106.57 -59.2 1.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -130.25 131.3 45.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 29.6 t -105.32 99.68 21.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.77 170.09 17.39 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 164' ' ' ARG . 53.7 Cg_endo -69.79 133.84 26.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.0 mt -92.06 128.93 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 63.2 t -125.89 115.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 84.9 m-85 -82.02 134.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 72.0 t -128.46 136.93 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -73.86 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.86 97.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.5 100.67 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -44.83 -66.47 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -138.97 152.24 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -105.45 130.87 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -123.72 91.52 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -136.3 156.52 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -95.83 159.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.18 44.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 14.0 mt -125.23 131.94 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -136.69 110.19 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -116.32 173.55 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -126.46 146.33 50.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.37 116.6 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -110.16 41.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.32 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -165.21 118.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -130.61 169.44 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.1 m -90.79 108.61 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -73.96 132.91 16.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.38 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 3.3 m -60.61 128.73 38.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.8 t -156.67 107.23 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.527 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.6 t -124.58 134.15 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 p -86.93 169.74 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.16 -155.66 19.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -133.76 154.14 51.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.5 p -80.25 -49.55 11.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.89 -86.24 0.42 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -56.15 161.05 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -89.82 -44.86 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.9 mp0 -56.26 -42.48 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.11 -43.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -65.29 -34.82 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.3 -47.74 66.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -72.98 -32.41 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.68 -45.05 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -72.04 -42.36 66.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.92 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 133' ' ' PHE . 5.4 tt -67.31 -47.06 71.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -47.03 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.54 59.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.4 mt -57.06 -49.42 75.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 96' ' ' LEU . 30.4 mt -65.12 -37.68 88.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.79 -45.0 84.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.24 -43.39 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.0 mt -67.78 -50.02 59.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.1 t -67.78 -23.21 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.27 -41.14 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.15 -35.1 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 108' ' ' LEU . 3.2 mp -72.85 1.57 8.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.8 m -97.38 -10.84 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 113.1 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.169 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.756 2.304 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -57.26 -51.44 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.505 ' CG1' ' H ' ' A' ' 114' ' ' SER . 6.9 p -91.18 -58.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.505 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 55.4 m -92.46 69.9 5.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.98 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -64.29 -41.7 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.466 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 13.8 tp -61.66 -51.17 69.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 42.8 t80 -52.98 -47.33 68.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -23.25 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 13.9 mt -90.12 -22.43 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.9 m120 62.11 54.42 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.96 145.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.05 116.9 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.2 mt -50.93 159.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -130.71 -36.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -166.28 152.82 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.5 t -127.36 127.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 t -111.25 116.17 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 96' ' ' LEU . 21.8 tp -108.93 141.33 41.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 69.5 p -69.59 152.2 96.34 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.49 23.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.279 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -81.64 1.7 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 92' ' ' ARG . 8.9 m-85 59.75 26.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 4.8 m -90.2 -76.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.32 21.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 11.6 t -126.42 101.82 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.14 140.3 31.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.99 122.62 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -100.99 130.43 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.554 ' CH2' HG22 ' A' ' 142' ' ' THR . 12.0 p-90 -122.75 159.26 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -66.69 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.554 HG22 ' CH2' ' A' ' 140' ' ' TRP . 62.8 p -120.88 172.28 8.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.437 HG23 ' NE2' ' A' ' 148' ' ' GLN . 77.6 p -102.18 175.48 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -87.94 30.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -127.98 128.74 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.02 87.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -61.81 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.482 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.4 tm0? -68.47 -37.19 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.0 -38.04 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.98 -50.02 63.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.2 t-160 -65.34 -50.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.482 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 48.1 mtp -59.04 -46.21 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.53 -36.82 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.79 77.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.42 ' HA ' ' NH1' ' A' ' 158' ' ' ARG . 7.1 p -71.25 -42.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.542 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 49.9 tp -68.98 -40.04 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.17 -52.06 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.3 ptp85 -65.62 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -95.09 8.36 43.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.06 -47.56 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.62 -60.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -57.49 -43.09 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.1 mtm -57.0 -42.32 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -56.0 -44.77 78.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.9 -42.05 90.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.469 ' CD1' HG21 ' A' ' 113' ' ' VAL . 52.4 mt -57.19 -34.67 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.07 -39.72 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' SER . 3.8 mtt -43.46 -35.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' MET . 33.1 t -37.83 -50.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.69 127.44 32.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -86.58 -28.3 23.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 19.9 p -49.21 -19.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 6.6 mt -95.05 129.12 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -76.04 -69.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.32 128.64 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 48.2 t -108.2 99.42 31.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.443 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.9 Cg_endo -69.73 170.09 17.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 180' ' ' VAL . 61.5 mt -91.98 136.09 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.463 ' N ' HG23 ' A' ' 179' ' ' ILE . 59.9 t -130.42 117.9 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.542 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 64.1 m-85 -82.15 131.24 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.69 142.04 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.52 128.87 37.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -39.19 -44.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -76.7 153.85 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.92 100.89 2.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.96 115.26 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -84.97 138.13 32.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -111.58 39.26 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 20.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -93.78 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -111.89 95.58 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.74 157.13 28.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -113.89 129.66 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.95 115.76 30.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 21.7 tp -104.29 87.36 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.6 pp -157.85 151.83 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.75 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.25 170.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.42 139.51 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.69 120.32 41.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 49.1 m -147.43 158.12 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 129.86 -168.05 21.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -23.12 31.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.63 2.22 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 9.1 m -39.36 150.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.3 m -133.16 -52.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.8 m 43.59 42.18 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 t -74.38 -51.56 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.62 172.52 41.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t 62.9 41.87 8.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -98.14 103.79 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ARG . . . -97.76 115.11 5.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' GLY . 98.8 mtt180 -34.69 121.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -87.89 -40.13 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.1 pp20? -62.27 -51.08 69.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -38.84 -49.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -65.61 -38.86 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.5 -46.02 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -69.2 -32.27 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 133' ' ' PHE . 31.9 mt -64.68 -45.15 87.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -72.09 -44.86 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.95 74.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.64 -46.37 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.26 -47.99 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.03 -35.81 79.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.21 -48.28 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.7 mt -66.55 -39.76 88.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.17 -42.57 88.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -70.65 -42.26 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.12 74.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.04 -50.49 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -65.0 -32.46 74.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.22 -36.66 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.59 -38.88 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 4.1 mp -71.94 1.22 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 78.9 m -90.99 -27.69 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -115.91 118.65 38.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.52 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.73 -51.66 37.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.507 ' CG1' ' H ' ' A' ' 114' ' ' SER . 5.8 p -91.53 -59.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.507 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 10.2 m -92.69 69.3 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -59.05 -46.93 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.72 -42.02 91.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 14.2 tp -62.48 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 78.2 t80 -60.32 -46.33 90.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.7 -28.73 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.3 -21.75 33.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.62 36.44 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.6 145.95 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.7 124.63 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.1 149.55 47.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 t -115.96 -40.39 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 159.56 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -126.58 130.67 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -110.08 116.05 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.3 tp -108.67 141.2 40.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.4 p -69.66 154.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.712 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.21 14.95 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 129' ' ' LEU . 20.0 m-85 47.18 30.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -90.36 -76.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.61 150.33 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.4 t -123.29 101.69 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -85.83 138.69 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.22 123.38 28.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -101.01 129.63 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 -119.57 143.89 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -49.77 119.56 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.9 p -124.96 163.62 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.7 p -102.49 -178.93 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -87.03 36.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 m -134.22 121.92 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.47 -28.22 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.38 -48.03 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.4 pp0? -70.72 -37.5 73.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 15.3 m-80 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.8 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.5 t60 -64.11 -50.63 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.62 -44.07 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 26.4 tt0 -62.6 -38.97 92.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.76 86.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.45 -41.77 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.3 tp -67.96 -43.54 78.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -60.03 -50.32 74.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 159' ' ' SER . 2.7 ptp180 -60.41 -30.14 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -89.81 17.3 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.01 -45.69 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -57.11 -42.5 80.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -56.97 -43.96 82.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -56.32 -46.11 80.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -66.08 -42.82 88.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 36.9 mt -55.63 -34.92 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.85 -39.79 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 14.2 mtt -40.94 -31.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 t -39.79 -52.15 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -43.99 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 172' ' ' THR . 13.6 mm100 -124.45 -47.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 171' ' ' GLN . 45.8 p -36.86 -47.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.435 HD12 ' CG2' ' A' ' 176' ' ' VAL . 1.1 pt? -64.24 156.85 27.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -88.9 -72.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -122.03 163.41 19.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 173' ' ' LEU . 61.6 t -124.65 99.47 35.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.83 18.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.71 23.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 54.0 mt -91.92 126.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 55.9 t -124.34 115.85 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.8 m-85 -81.88 124.45 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 73.6 t -121.35 144.09 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.83 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -38.66 -41.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -88.12 149.68 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -54.91 -107.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -138.4 128.36 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.3 107.54 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -99.68 85.14 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 10.1 tp -136.0 155.91 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -132.48 173.5 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -106.87 89.18 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.64 41.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -69.2 100.54 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -124.59 -51.39 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 196' ' ' LEU . 3.7 mm? -61.66 104.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 197' ' ' LEU . 4.0 pp -119.22 143.66 47.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -131.53 89.43 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.83 132.74 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -158.81 141.98 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.05 172.56 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 1.3 t -175.0 121.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -170.64 126.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 14.9 t -79.02 153.06 30.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 76.3 p -132.09 84.71 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 t -164.49 148.46 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.5 t -81.79 -52.91 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.66 147.33 4.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.1 p -157.39 123.2 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -72.73 103.84 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.01 -88.9 0.95 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 173.31 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -19.4 31.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 18.7 mm-40 -81.7 -42.94 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -41.27 -46.23 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.52 -37.35 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.73 -46.93 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.465 ' HD3' ' NE ' ' A' ' 174' ' ' ARG . 1.5 tpm_? -70.71 -32.52 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -65.18 -45.08 86.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -72.05 -44.85 62.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.14 92.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 100' ' ' LEU . 5.9 tt -66.14 -47.12 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -59.5 -48.28 82.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -40.56 67.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.67 -45.67 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 96' ' ' LEU . 25.0 mt -66.52 -38.34 86.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.23 -44.08 84.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -73.35 -40.56 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.64 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.5 mt -64.9 -49.94 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 t -63.99 -28.4 69.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.5 -42.51 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.66 -35.84 81.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.461 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.2 mp -75.4 -1.32 23.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -93.33 -18.81 22.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -122.15 117.63 29.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -53.54 -53.4 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.503 ' CG1' ' H ' ' A' ' 114' ' ' SER . 8.1 p -93.46 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.503 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 0.4 OUTLIER -93.46 69.55 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.67 -46.58 89.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.45 -42.4 95.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.461 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 20.9 tp -63.33 -40.65 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 82.8 t80 -61.0 -45.98 92.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.88 -33.72 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.443 HD11 ' CE ' ' A' ' 152' ' ' MET . 10.9 mt -79.38 -24.43 42.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 61.48 53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.74 147.93 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -134.94 117.04 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.6 mt -55.97 159.86 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.7 p -129.21 -38.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -165.37 154.49 12.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.89 126.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -106.89 115.62 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.502 HD23 ' CE1' ' A' ' 133' ' ' PHE . 16.2 tp -108.65 141.0 41.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 22.5 p -69.8 154.51 94.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.06 11.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 132' ' ' ASP . 15.8 p-10 -82.92 13.28 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.502 ' CE1' HD23 ' A' ' 129' ' ' LEU . 13.1 m-85 50.27 31.27 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.7 p -90.18 -77.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.82 149.25 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 6.9 t -122.86 101.77 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.42 136.79 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.62 123.02 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -101.1 129.01 46.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -121.71 142.29 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -47.95 122.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -130.78 172.34 12.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 52.8 p -104.1 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.413 ' O ' ' CD2' ' A' ' 144' ' ' LEU . 1.7 tt -90.53 32.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -127.59 122.44 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.61 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.25 -48.0 77.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 27.1 tp60 -65.97 -36.93 84.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 44.9 m-20 -72.36 -36.63 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.07 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.442 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.5 t-160 -63.48 -49.77 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 17.4 mtp -64.99 -42.47 94.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 23.9 tt0 -62.47 -40.49 96.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.75 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.37 -42.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.546 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 57.9 tp -67.17 -40.75 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -61.38 -52.02 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -61.87 -21.16 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -96.93 17.99 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.17 -56.08 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.67 -57.9 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -56.82 -44.99 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.3 mtm -56.99 -44.83 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -55.76 -45.65 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -66.25 -41.87 89.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 113' ' ' VAL . 30.2 mt -56.14 -34.7 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.49 -34.26 41.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 169' ' ' SER . 8.3 mtt -46.91 -39.05 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 168' ' ' MET . 67.9 m -37.0 -50.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -57.06 100.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 172' ' ' THR . 10.2 tp60 -53.31 -37.99 62.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 171' ' ' GLN . 19.4 p -36.39 -37.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -85.21 114.83 22.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -88.79 -30.75 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.467 ' N ' ' HG2' ' A' ' 174' ' ' ARG . 37.1 t30 -134.24 108.84 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 46.9 t -111.74 99.4 44.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.422 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.75 170.1 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.86 29.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.2 mt -92.57 130.91 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.03 118.82 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.546 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 58.9 m-85 -82.34 122.86 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.84 139.8 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.99 129.39 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -41.33 -39.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.1 157.58 25.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -63.21 -117.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -138.58 147.7 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -48.86 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -121.35 86.48 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.2 mp -48.83 122.98 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -125.21 137.94 54.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.66 76.15 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -83.94 43.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -91.65 86.97 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -113.94 156.52 23.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.91 129.79 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.91 115.79 4.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -131.01 94.21 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.55 138.19 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -150.82 164.6 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -139.53 128.21 23.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 52.8 p -151.18 114.31 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -153.02 154.0 25.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.77 2.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 22.2 m -133.48 -44.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 5.4 m -134.04 156.95 47.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 m -87.47 129.27 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 t -52.97 -44.17 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.15 -44.37 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.2 m -133.83 159.71 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -88.36 149.9 23.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.89 -153.34 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -52.58 157.33 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -33.7 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.0 mp0 -70.84 -42.3 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -40.75 -44.82 2.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -67.84 -33.15 74.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.91 -47.98 64.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -73.0 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 28.3 mt -65.59 -45.19 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -72.07 -40.93 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.56 -45.84 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tt -66.52 -47.06 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.76 -45.88 90.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.98 -35.73 61.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' A' ' 173' ' ' LEU . 22.1 mt -66.88 -49.12 66.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.0 -38.37 90.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 105' ' ' THR . 59.8 t80 -67.17 -40.26 86.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -74.15 -41.57 61.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.406 ' CB ' HD23 ' A' ' 167' ' ' LEU . . . -70.11 -42.81 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.7 mt -63.12 -50.18 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.88 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.67 -38.64 84.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.15 -39.48 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.3 mp -71.79 -0.64 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 62.2 m -91.8 -24.3 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.23 117.24 36.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.85 3.31 2.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.09 -52.59 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.3 p -92.64 -56.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.492 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 0.4 OUTLIER -92.87 66.52 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -60.32 -47.07 87.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.65 -42.13 98.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.463 ' CD2' ' HE3' ' A' ' 163' ' ' MET . 14.0 tp -63.07 -47.64 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 65.1 t80 -53.47 -51.74 61.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -42.18 -36.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 151' ' ' HIS . 17.9 mt -71.87 -35.18 69.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 118' ' ' TYR . 26.6 t30 74.24 47.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 123' ' ' GLU . 12.7 p -79.89 152.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.468 ' N ' HG21 ' A' ' 122' ' ' VAL . 18.9 mt-10 -140.81 113.74 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.4 mt -50.12 149.85 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -123.41 -40.46 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 16.5 ttpt -166.02 148.4 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.458 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 79.1 t -128.73 127.55 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -108.95 125.11 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -110.48 141.53 43.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.3 p -69.41 155.94 92.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.28 20.71 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.86 7.79 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 129' ' ' LEU . 29.1 m-85 53.91 28.97 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 31.1 t -90.29 -75.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.5 146.8 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 37.9 t -125.06 101.77 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 141.24 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.03 123.62 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -100.84 133.82 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.51 ' CH2' HG21 ' A' ' 142' ' ' THR . 35.2 p-90 -127.42 150.68 49.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -57.64 121.24 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.51 HG21 ' CH2' ' A' ' 140' ' ' TRP . 82.5 p -118.13 166.29 12.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.5 p -92.64 179.18 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.5 tt -93.6 35.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -138.93 121.19 15.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.02 87.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.0 -48.16 82.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.47 88.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.53 -35.98 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.8 85.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 120' ' ' LEU . 6.6 t60 -60.29 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.496 ' HA ' ' CG1' ' A' ' 155' ' ' VAL . 65.9 mtp -65.16 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.64 -43.12 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.24 72.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 152' ' ' MET . 3.9 p -70.76 -39.98 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.0 tp -69.0 -44.38 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.16 -52.35 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -17.73 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.36 13.35 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.82 -41.86 13.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.88 -60.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -56.92 -42.86 80.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' MET . . . . . 0.463 ' HE3' ' CD2' ' A' ' 117' ' ' LEU . 10.4 mtm -57.23 -44.57 83.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.93 -46.15 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.24 -41.79 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 50.4 mt -56.45 -34.66 67.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 103' ' ' ALA . 52.4 mt -80.0 -32.54 39.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 169' ' ' SER . 7.1 mtt -49.75 -39.1 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' MET . 1.5 t -36.92 -39.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -51.41 171.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.3 mt-30 -125.77 -57.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 171' ' ' GLN . 29.7 p -34.48 -55.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 176' ' ' VAL . 9.4 tp -49.84 127.49 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.59 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.12 139.22 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 173' ' ' LEU . 57.5 t -107.83 99.23 28.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.448 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.74 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.73 26.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.8 mt -91.91 127.32 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.16 115.2 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.563 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 53.6 m-85 -81.99 126.9 32.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.41 141.45 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.04 128.01 34.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -43.59 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 162.41 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -100.99 98.2 1.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.96 106.62 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -70.04 107.82 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -92.74 44.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.87 86.37 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -111.05 89.95 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.86 90.93 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 193' ' ' LEU . 0.1 OUTLIER -111.94 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.9 123.45 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -132.51 127.16 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.6 pp -100.38 158.31 15.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 4.2 pp -174.75 170.65 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -138.87 137.52 36.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 200' ' ' ALA . 6.3 p -137.14 139.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 199' ' ' VAL . . . -146.98 109.04 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -121.64 125.86 47.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 7.2 m -139.97 160.51 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -119.74 123.19 5.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.53 35.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.389 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 31.3 t -159.1 125.47 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.8 t -85.68 -57.58 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -117.48 -58.72 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -53.1 120.07 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.97 -173.6 25.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -45.43 147.48 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.7 p -47.39 119.88 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' ARG . . . -178.56 -67.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' GLY . 87.0 mtt180 -35.47 136.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -64.58 -42.75 95.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.7 mm-40 -46.18 -47.49 17.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.58 -48.64 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.57 -34.46 78.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -69.68 -48.01 61.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.44 -33.35 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.1 mt -65.44 -44.91 85.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -72.13 -42.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.43 -45.73 82.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 133' ' ' PHE . 5.3 tt -66.64 -46.44 75.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.69 -47.98 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.07 -39.97 72.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 25.9 mt -60.12 -45.51 92.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 96' ' ' LEU . 28.0 mt -67.66 -37.89 83.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -66.47 -41.96 88.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -42.65 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 167' ' ' LEU . . . -69.08 -42.18 76.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.44 -49.9 71.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -67.48 -25.74 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.28 -38.03 71.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.06 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.0 mp -69.78 -1.05 8.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -89.88 -30.92 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.2 114.75 50.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.3 Cg_endo -69.74 -0.8 7.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.43 -51.9 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG1' ' H ' ' A' ' 114' ' ' SER . 10.3 p -91.82 -54.94 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.467 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 35.4 p -91.87 67.22 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.16 -47.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.47 -42.24 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 122' ' ' VAL . 9.2 tp -60.55 -51.28 70.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 51.9 t80 -54.19 -53.15 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -44.42 -31.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.05 -32.22 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' TYR . 16.8 t30 73.57 54.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 117' ' ' LEU . 7.5 p -88.82 153.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 122' ' ' VAL . 9.6 mp0 -143.69 126.48 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.1 mt -61.37 156.83 18.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 p -124.29 -36.06 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 27.0 ttmt -174.18 147.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 70.5 t -117.05 130.02 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.1 t -111.12 114.45 27.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 133' ' ' PHE . 16.1 tp -109.49 141.2 42.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.9 p -69.84 154.05 95.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.55 30.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.09 0.51 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 96' ' ' LEU . 25.2 m-85 59.82 25.88 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 49.8 m -90.13 -75.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.38 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 30.1 t -126.52 101.89 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.12 141.53 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.04 124.77 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.24 133.53 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.552 ' CZ3' HG22 ' A' ' 142' ' ' THR . 38.6 p-90 -128.66 142.12 51.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -51.9 117.89 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.552 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 15.9 p -111.09 174.91 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' NE2' ' A' ' 148' ' ' GLN . 38.5 p -113.14 162.44 15.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.92 36.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.9 m -132.71 114.74 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.18 -38.33 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.06 -44.56 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.3 tm0? -72.07 -40.2 68.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 8.4 m-20 -67.4 -36.0 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.63 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.441 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -67.04 -49.83 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 18.8 mtp -61.87 -45.79 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 19.7 tt0 -62.0 -39.41 92.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.89 93.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 156' ' ' LEU . 6.1 p -71.67 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.5 tp -65.7 -42.58 91.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.97 -47.18 85.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -71.24 -19.73 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.1 m -95.2 17.19 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.32 -56.94 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.68 -57.24 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -56.76 -45.19 82.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.32 -40.25 77.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 164' ' ' ARG . 13.7 ttp-105 -56.59 -46.03 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -65.85 -41.98 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 52.3 mt -56.89 -34.85 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 13.2 mt -76.16 -37.71 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 19.2 mtt -43.16 -28.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.9 t -46.37 -42.01 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -45.54 171.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 32.7 tt0 -125.81 -57.03 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.1 m -35.49 -58.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 175' ' ' ASN . 2.3 tt -46.53 143.51 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 175' ' ' ASN . 10.8 ptm180 -94.89 -49.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 174' ' ' ARG . 7.1 t-20 -138.72 128.82 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 52.4 t -101.74 99.4 11.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.7 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.22 25.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.336 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.05 129.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.47 118.89 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.562 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -81.97 127.82 33.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.5 t -130.5 143.96 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -71.5 129.05 37.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.04 -57.04 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -91.24 174.29 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -137.79 110.26 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.95 96.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -91.51 101.85 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -115.43 92.58 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.32 109.72 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -75.17 137.75 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -87.17 81.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.466 ' N ' HD11 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -87.0 42.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.06 104.44 7.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 195' ' ' GLN . 0.0 OUTLIER -127.97 105.24 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -112.91 93.39 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.3 mt -143.96 148.66 35.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -158.14 113.15 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.16 115.7 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -139.44 111.25 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -133.52 118.62 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 6.2 t -107.47 126.87 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -178.6 82.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 120.72 7.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 64.3 p -99.92 133.39 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.3 t -90.42 -60.9 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' SER . 74.2 m -119.19 -44.91 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 80' ' ' SER . 5.4 t -35.35 -56.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.98 -50.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -146.19 139.19 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -58.4 146.18 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.48 82.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -60.02 -177.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -39.03 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 91' ' ' ALA . 10.9 pt-20 -50.7 -48.09 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 5.9 p-10 -37.64 -43.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.7 -40.28 88.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.51 -45.68 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -72.46 -35.53 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 30.8 mt -65.95 -45.17 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.08 -39.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.94 -44.39 76.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 100' ' ' LEU . 4.3 tt -67.94 -43.42 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.61 -46.22 73.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.98 -39.14 74.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.523 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 26.6 mt -62.54 -46.83 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' CD1' HD23 ' A' ' 96' ' ' LEU . 33.4 mt -65.37 -37.73 87.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.05 -44.49 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.62 -47.15 67.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.74 88.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.32 -49.51 66.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -70.42 -19.68 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.49 -43.22 50.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.31 -35.85 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 108' ' ' LEU . 3.9 mp -73.79 -3.79 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 43.9 m -92.0 -16.94 25.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -122.17 117.92 29.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.4 Cg_endo -69.67 2.43 3.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -56.22 -50.89 69.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.435 HG11 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -86.56 -68.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' A' ' 117' ' ' LEU . 3.1 m -90.79 76.49 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.1 -47.31 85.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.41 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 114' ' ' SER . 27.7 tp -62.05 -39.09 91.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 57.2 t80 -65.61 -43.77 88.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -52.88 -18.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.08 -23.36 21.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 64.87 45.79 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.44 144.07 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.48 125.7 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.98 149.97 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 t -119.35 -32.57 4.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -173.79 158.05 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.92 133.24 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -110.95 113.66 26.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.0 tp -106.41 141.18 38.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 43.4 p -69.79 151.53 96.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.703 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.11 30.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -86.84 4.06 42.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.437 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 3.7 m-85 57.01 25.14 10.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -75.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.44 149.33 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.6 t -123.97 101.86 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -86.52 140.11 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.46 128.32 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.19 134.84 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CZ3' HG23 ' A' ' 142' ' ' THR . 24.5 p-90 -129.26 142.16 50.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -51.39 125.66 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.546 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 50.2 p -128.35 165.96 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -97.42 -177.49 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.38 5.85 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 107.14 19.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.14 -24.09 16.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.13 -46.73 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.35 -37.7 74.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -62.68 -40.7 97.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.66 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.3 t60 -64.5 -48.92 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.447 ' HE3' ' CZ3' ' A' ' 140' ' ' TRP . 36.4 mtp -63.77 -44.58 92.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -62.21 -39.16 91.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.36 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 156' ' ' LEU . 4.8 p -71.15 -43.69 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.9 tp -66.88 -40.27 87.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.53 -51.46 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -66.99 -24.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.9 m -90.15 9.04 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -85.4 -48.88 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.33 -59.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -57.13 -41.33 78.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -57.0 -41.71 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -56.3 -45.86 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.17 -34.95 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.53 -34.61 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.56 -32.06 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 23.0 t -41.41 -35.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.98 170.66 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.9 tt0 -118.51 -50.32 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.7 m -34.84 -58.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.91 122.91 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.61 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -115.19 124.46 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 49.7 t -105.03 99.56 20.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.8 169.89 17.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.252 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 134.27 27.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 63.1 mt -91.9 131.0 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.73 116.4 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.1 m-85 -82.02 128.78 34.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.1 t -125.03 142.6 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.15 128.66 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.81 -60.55 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -121.15 128.81 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.75 75.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -46.68 118.86 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -119.56 138.37 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -123.98 41.41 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.09 81.49 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -113.81 167.09 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.54 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 193' ' ' LEU . 0.4 OUTLIER -79.38 135.6 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -133.72 161.16 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -123.01 114.63 20.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.43 145.2 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.9 pp -144.95 162.14 37.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -159.85 121.28 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.27 121.7 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -133.25 89.11 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.97 -45.25 13.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 7.9 t 59.66 42.01 17.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -146.36 70.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 104.49 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 25.8 t -98.59 156.33 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.9 p -152.95 169.06 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.3 p -93.88 117.86 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -122.0 159.47 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' SER . . . -73.19 70.24 1.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.5 t -38.16 133.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -85.42 102.47 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 126.71 -43.67 1.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -47.7 126.12 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.8 tptt -65.16 -55.66 17.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . 13.2 pt-20 -36.68 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -43.26 -56.96 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -56.76 -39.3 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.98 97.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.46 -38.61 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.61 -45.14 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -39.96 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -47.36 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -65.12 -47.03 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -59.38 -48.04 83.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.82 65.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.9 mt -64.94 -47.71 76.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 96' ' ' LEU . 39.9 mt -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 105' ' ' THR . 44.6 t80 -65.39 -38.36 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -42.32 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.53 -39.61 77.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.55 -28.21 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.07 -37.58 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.17 -37.57 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 117' ' ' LEU . 3.2 mp -72.29 1.68 7.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 90.6 m -93.3 -33.45 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.54 116.18 59.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.7 2.43 3.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.82 -52.52 60.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.488 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.2 p -92.49 -56.15 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.488 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 39.0 p -92.6 71.13 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.99 -47.84 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.87 -42.04 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 108' ' ' LEU . 13.6 tp -60.47 -46.55 89.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.33 -49.95 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -49.2 -22.23 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.0 mt -89.81 -25.72 20.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 31.0 m120 63.67 47.35 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.5 p -73.29 141.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 119.27 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.86 156.83 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -122.69 -31.94 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -174.33 155.07 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 128' ' ' SER . 68.9 t -123.06 132.53 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.412 ' N ' HG11 ' A' ' 127' ' ' VAL . 4.7 t -109.26 113.18 25.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.504 HD23 ' CE1' ' A' ' 133' ' ' PHE . 12.7 tp -107.25 141.07 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 38.3 p -69.92 153.79 95.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.26 22.21 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.02 16.74 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.504 ' CE1' HD23 ' A' ' 129' ' ' LEU . 9.3 m-85 44.52 27.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.0 t -90.36 -75.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.39 150.95 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.45 102.2 7.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.32 138.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -127.47 126.21 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.01 134.53 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.569 ' CZ3' ' HE2' ' A' ' 152' ' ' MET . 51.1 p-90 -135.59 142.09 45.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.553 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 31.1 mttt -38.73 131.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -134.19 138.12 44.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -90.7 167.05 12.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.1 mt -83.43 26.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.9 m -118.24 107.84 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.0 67.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.03 -45.25 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -68.69 -43.97 74.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.58 -36.65 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.12 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -60.49 -51.4 69.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.569 ' HE2' ' CZ3' ' A' ' 140' ' ' TRP . 11.6 mtp -65.36 -44.36 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.21 -38.59 89.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.62 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.52 -41.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 59.9 tp -68.76 -40.83 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.93 -52.06 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.2 OUTLIER -68.54 -17.75 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -98.5 15.68 24.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.44 -57.73 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.71 -56.72 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.63 -44.11 80.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.0 mtm -58.06 -44.66 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.2 ttm105 -55.89 -45.55 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -65.51 -42.61 91.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 113' ' ' VAL . 50.9 mt -56.08 -35.12 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 19.8 mt -75.41 -39.25 59.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 20.9 mtt -43.21 -34.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.0 t -40.98 -49.04 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -48.34 158.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 172' ' ' THR . 2.7 pm0 -122.52 -29.04 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.435 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 94.3 m -47.22 -58.77 3.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 173' ' ' LEU . 0.0 OUTLIER -54.66 177.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.467 ' N ' HD23 ' A' ' 173' ' ' LEU . 16.3 mmt180 -113.76 -69.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -122.19 133.78 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.9 t -108.02 99.67 32.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.4 Cg_endo -69.76 170.06 17.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 133.44 25.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 56.4 mt -91.92 129.08 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 84.4 t -125.19 115.85 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.6 m-85 -81.87 128.07 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 50.8 t -121.98 141.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.05 130.86 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 184' ' ' ASP . 21.4 t70 -77.77 46.86 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -110.92 -53.33 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 101.13 -39.16 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -43.21 117.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -102.11 101.88 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -89.23 41.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 22.2 mt -132.21 112.94 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -121.04 168.75 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -84.41 46.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -85.64 41.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -124.21 80.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -122.68 -43.29 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.65 138.97 56.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 15.2 tp -126.02 97.58 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -91.8 54.34 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 78.9 t -131.34 90.17 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -114.02 80.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 23.7 m -148.38 170.12 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 138.59 75.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 111.34 2.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 31.5 m -103.91 121.31 42.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.4 p -172.76 144.33 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 t -81.86 126.96 32.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.916 0.389 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.5 p -149.45 122.69 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.13 112.46 1.99 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 t -94.84 -45.67 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -103.74 145.67 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 128.17 147.73 6.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -43.97 136.78 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -60.77 -43.92 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' ALA . 66.8 mm-40 -41.69 -46.93 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -40.53 -45.46 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -66.8 -32.98 74.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.71 -47.82 65.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -31.98 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' CE1' ' A' ' 133' ' ' PHE . 29.7 mt -65.53 -45.13 84.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -71.8 -41.79 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 100' ' ' LEU . 5.4 tt -67.74 -45.61 74.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.61 -48.06 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.22 -40.15 71.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.28 -45.79 93.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 96' ' ' LEU . 30.5 mt -66.47 -37.93 86.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -66.32 -42.87 87.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -70.66 -45.52 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' CB ' HD23 ' A' ' 167' ' ' LEU . . . -68.17 -37.69 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 179' ' ' ILE . 24.0 mt -63.28 -50.49 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -67.26 -26.8 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.59 -33.35 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 108' ' ' LEU . 7.9 mp -75.37 1.68 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -95.98 -20.07 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 m -117.55 117.39 36.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.534 0.683 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.532 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.77 -19.07 36.57 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tm-20 -37.85 -52.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' H ' ' A' ' 114' ' ' SER . 9.0 p -92.63 -56.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.492 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 53.7 p -92.67 67.01 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.17 -47.38 86.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -41.97 93.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -63.57 -44.81 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.532 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.0 -43.33 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.34 -34.25 60.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 152' ' ' MET . 17.1 mt -81.43 -8.76 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.7 m120 45.16 51.14 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.72 149.89 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -137.58 123.48 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.57 160.31 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.1 p -132.96 -40.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 127' ' ' VAL . 0.8 OUTLIER -159.87 152.22 20.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 126' ' ' LYS . 72.4 t -126.28 129.78 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.5 t -107.59 117.75 34.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 133' ' ' PHE . 18.8 tp -109.48 141.32 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.5 p -69.53 153.57 95.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -29.2 23.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -86.5 6.44 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.445 ' CE1' HD23 ' A' ' 93' ' ' LEU . 18.4 m-85 56.06 28.22 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 42.3 t -90.2 -76.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.53 146.63 23.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.3 t -120.3 101.85 8.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.5 139.72 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.52 125.39 30.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -100.87 129.58 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 142' ' ' THR . 25.4 p-90 -125.76 142.3 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -52.21 128.52 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.574 ' CG2' ' CH2' ' A' ' 140' ' ' TRP . 1.0 OUTLIER -134.98 173.91 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.0 p -95.82 152.86 18.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.22 -10.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.4 m -89.3 121.63 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.4 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.69 -48.2 75.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.477 ' NE2' ' HG3' ' A' ' 152' ' ' MET . 39.5 tp60 -63.27 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -65.35 -37.34 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.66 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.2 t60 -61.22 -51.17 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.477 ' HG3' ' NE2' ' A' ' 148' ' ' GLN . 16.7 mtp -64.49 -40.84 96.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.407 ' OE2' ' C ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.48 -40.96 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.02 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 156' ' ' LEU . 5.5 p -71.26 -43.06 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 181' ' ' PHE . 59.2 tp -66.62 -40.18 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.03 -48.93 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -66.84 -24.21 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -93.33 16.62 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.25 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.96 -59.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -56.82 -42.18 79.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.47 -44.63 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 10.9 ttp-105 -55.78 -44.62 77.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -66.09 -41.84 90.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.22 -34.62 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.409 HD23 ' CB ' ' A' ' 103' ' ' ALA . 19.1 mt -76.57 -37.35 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.31 -35.8 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 168' ' ' MET . 74.0 m -37.88 -49.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -59.06 131.75 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 172' ' ' THR . 2.7 mp0 -84.83 -44.2 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.2 p -36.08 -53.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.85 116.62 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -68.15 -67.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.13 125.86 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 77.2 t -105.71 99.16 20.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.621 0.724 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.33 27.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.442 ' CD1' HD23 ' A' ' 104' ' ' LEU . 61.1 mt -91.86 130.19 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.3 114.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.561 ' CD1' HD21 ' A' ' 156' ' ' LEU . 84.2 m-85 -81.96 132.04 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.29 140.66 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -71.97 129.26 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 184' ' ' ASP . 21.0 p-10 -59.23 85.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -94.29 -44.69 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 94.76 -50.66 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -131.35 92.22 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -108.83 114.44 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -112.18 41.76 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.53 136.58 46.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -126.83 81.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.14 92.74 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 12.9 mt -122.68 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -129.96 157.07 43.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.75 139.83 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.15 129.46 27.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 58.1 mt -153.34 129.64 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -172.61 129.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.48 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -160.56 119.32 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.44 133.87 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 27.7 t -168.95 153.62 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.14 73.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 173.56 10.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.709 2.273 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 3.6 m -143.67 166.56 24.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.2 t -120.42 155.33 33.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -65.55 129.91 41.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.366 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -163.46 147.75 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.01 159.57 6.28 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -91.11 50.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.828 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 p -70.0 165.47 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.11 49.68 0.87 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' HG2' ' CG ' ' A' ' 88' ' ' GLU . 10.6 ptt180 -76.58 -175.66 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ARG . 39.8 pttt -37.25 -38.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.5 pp20? -38.82 -48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLU . 31.0 t70 -34.42 -53.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 3.7 t60 -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.68 -44.04 97.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -70.51 -36.31 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 19.5 mt -62.31 -45.21 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -70.03 -45.1 67.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.07 79.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.8 tt -70.42 -37.67 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . -75.07 -37.57 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.63 -50.01 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.457 ' CD1' HD22 ' A' ' 96' ' ' LEU . 21.5 mt -68.14 -38.57 82.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.11 -39.13 89.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -74.09 -41.41 61.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' A' ' 167' ' ' LEU . . . -70.41 -42.07 72.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.36 -50.38 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 109' ' ' CYS . 5.8 t -63.64 -34.0 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.94 -41.85 99.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.82 -42.67 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 117' ' ' LEU . 3.6 mp -65.28 -4.91 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 105' ' ' THR . 57.4 m -89.69 -28.03 19.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.27 111.99 52.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.637 0.732 . . . . 0.0 111.098 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.77 1.57 4.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.401 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.48 -51.8 65.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 114' ' ' SER . 10.4 p -91.8 -54.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.464 ' N ' ' CG1' ' A' ' 113' ' ' VAL . 55.0 p -91.6 65.74 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.08 -47.11 87.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.69 -42.01 91.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 108' ' ' LEU . 14.5 tp -60.86 -51.23 70.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 45.1 t80 -53.84 -50.06 67.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -43.47 -35.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.424 HD12 ' CE ' ' A' ' 152' ' ' MET . 12.4 mt -80.7 -34.65 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.59 54.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.45 HG22 ' N ' ' A' ' 123' ' ' GLU . 7.2 p -82.98 150.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 122' ' ' VAL . 40.1 mt-10 -133.77 122.62 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.49 151.2 33.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.3 p -119.4 -42.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -165.84 157.47 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.23 128.02 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 t -106.94 116.2 31.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 96' ' ' LEU . 16.4 tp -108.32 140.29 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.5 p -70.74 152.26 95.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -33.35 16.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.404 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.59 0.57 25.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 7.2 m-85 60.98 25.74 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 59.3 m -90.16 -76.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 149.63 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.42 101.93 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.88 140.03 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.06 124.48 26.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.94 133.09 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.531 ' CZ3' HG23 ' A' ' 142' ' ' THR . 28.7 p-90 -127.01 144.24 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -49.66 127.49 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.531 HG23 ' CZ3' ' A' ' 140' ' ' TRP . 3.8 p -132.13 168.52 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.446 ' CG2' ' OE1' ' A' ' 148' ' ' GLN . 82.7 p -89.93 178.48 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -90.8 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -131.3 132.99 44.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.33 75.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.37 -48.08 81.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.446 ' OE1' ' CG2' ' A' ' 143' ' ' THR . 0.9 OUTLIER -65.65 -45.78 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 10.0 m-20 -61.59 -35.92 79.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.09 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.82 -51.1 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.428 ' HG3' ' NE2' ' A' ' 148' ' ' GLN . 12.9 mtp -65.12 -44.89 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 29.5 tt0 -62.15 -37.05 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.43 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.8 p -71.19 -41.37 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.7 tp -69.12 -42.71 75.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.93 -52.04 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -16.88 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.5 m -99.14 9.75 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.02 -45.04 13.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.08 -60.86 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.01 -41.03 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.8 mtm -56.96 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 9.4 ttp-105 -55.93 -46.0 78.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.7 -42.09 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.438 HD11 ' CG2' ' A' ' 113' ' ' VAL . 26.3 mt -57.3 -36.02 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 31.3 mt -78.94 -28.51 43.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -35.79 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 16.1 t -38.52 -35.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -72.15 93.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.3 pp0? -47.86 -40.04 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 37.1 m -34.27 -60.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.94 128.24 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -72.25 -67.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -127.07 124.37 39.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.94 99.18 17.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.8 170.2 17.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 57.0 mt -91.92 127.96 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.82 115.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 62.2 m-85 -81.78 126.62 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.12 144.05 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 77.2 mt-30 -71.03 127.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 2.9 t70 -35.75 -59.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -138.54 110.0 7.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -76.42 71.96 1.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.445 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -70.04 116.08 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -109.12 -52.59 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -98.53 77.29 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 39.7 tp -111.11 86.22 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -116.03 169.99 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -129.75 107.23 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -105.52 140.18 39.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -122.54 153.5 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -116.5 144.19 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 9.3 tt -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.99 117.27 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -147.31 137.57 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.03 163.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.36 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -126.25 91.19 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 53.2 p -133.41 153.47 51.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 142.9 68.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.74 59.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 12.9 t -70.31 117.45 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.6 t -139.26 149.98 44.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.6 p -132.78 128.02 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -103.92 -44.45 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.14 55.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.4 m -65.43 121.0 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -156.38 121.85 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.54 -123.57 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.78 170.37 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.5 ttpm? -60.73 -42.71 97.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 91' ' ' ALA . 21.7 mm-40 -37.07 -48.26 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 18.1 m-20 -37.44 -48.77 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -65.12 -36.96 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.26 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -72.8 -33.64 66.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 31.7 mt -65.34 -45.13 85.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -72.04 -43.39 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.5 -43.69 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 133' ' ' PHE . 5.3 tt -66.6 -46.91 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 93' ' ' LEU . 39.8 m-20 -63.23 -45.14 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.26 -36.98 55.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 27.7 mt -64.87 -49.12 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 96' ' ' LEU . 29.5 mt -67.3 -37.35 83.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.86 -42.75 94.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -74.86 -38.88 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HB2' ' CD2' ' A' ' 167' ' ' LEU . . . -68.47 -43.09 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -64.33 -50.45 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -61.22 -32.21 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 -41.0 84.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.73 -41.74 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 108' ' ' LEU . 6.1 mp -70.3 -5.87 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.04 -23.54 21.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -115.89 115.85 40.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.79 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 25.4 pt-20 -53.99 -51.7 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.506 ' CG1' ' H ' ' A' ' 114' ' ' SER . 6.5 p -91.47 -58.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.506 ' H ' ' CG1' ' A' ' 113' ' ' VAL . 10.4 m -92.48 73.63 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -60.59 -46.87 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' C ' ' CD ' ' A' ' 116' ' ' GLU . 2.4 tm-20 -66.21 -42.39 88.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.465 ' CD2' ' HG ' ' A' ' 108' ' ' LEU . 12.5 tp -58.44 -44.92 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 60.9 t80 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -43.36 -34.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.7 -33.04 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 118' ' ' TYR . 4.1 t30 73.28 54.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 123' ' ' GLU . 2.7 p -88.6 149.29 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 122' ' ' VAL . 11.7 tp10 -139.81 126.69 20.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.82 157.55 27.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 p -131.33 -37.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 39.4 tttt -165.58 153.23 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 90.3 t -127.13 137.71 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 127' ' ' VAL . 8.1 t -116.4 111.66 20.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -104.08 141.46 36.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 78.5 p -69.4 152.46 96.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.52 26.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -86.12 5.91 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.52 ' CE1' HD21 ' A' ' 129' ' ' LEU . 12.1 m-85 55.56 26.48 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 30.1 t -90.25 -75.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.49 141.35 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.6 t -119.81 101.53 7.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' SER . 20.1 mtp180 -96.62 138.5 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.43 136.97 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.93 133.08 45.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.49 ' CE3' HG21 ' A' ' 142' ' ' THR . 25.4 p-90 -120.93 147.0 46.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.61 119.17 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.49 HG21 ' CE3' ' A' ' 140' ' ' TRP . 72.7 p -123.25 170.18 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.4 p -102.27 -176.39 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 tp -91.34 35.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -133.16 123.26 25.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.28 -27.68 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.5 -47.81 82.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.2 pp0? -69.73 -38.09 76.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 17.6 m-80 -62.05 -38.85 90.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.96 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.46 -50.07 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.4 mtp -64.41 -44.39 91.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.4 tt0 -62.47 -38.75 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.74 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.8 p -71.56 -40.95 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.8 tp -69.23 -43.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.05 -52.32 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -65.64 -17.49 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.89 8.89 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.01 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -43.17 -61.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.38 -41.73 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.6 mtm -57.16 -43.73 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.9 ttp-105 -55.82 -46.01 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -63.78 -41.92 97.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 113' ' ' VAL . 28.8 mt -57.87 -35.47 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 24.3 mt -75.18 -35.29 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.3 mtt -45.93 -35.93 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 3.5 t -37.16 -48.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.27 115.97 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 172' ' ' THR . 47.9 tt0 -73.4 -40.04 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 171' ' ' GLN . 5.3 t -33.99 -39.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.3 mp -75.77 132.31 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.82 -74.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -115.49 125.24 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.5 t -103.89 99.41 16.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.457 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.71 170.22 17.03 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.83 28.9 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 53.0 mt -91.86 130.19 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.7 115.08 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.564 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 82.3 m-85 -81.89 131.65 35.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.32 143.35 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -72.7 129.24 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.42 99.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -107.87 112.73 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -55.13 -85.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -136.18 148.79 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -114.96 118.1 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -115.79 79.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.07 94.87 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -129.36 148.96 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.3 98.55 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 13.5 mt -120.11 133.88 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -131.65 125.21 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -137.87 137.6 38.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tt -138.82 136.98 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 81.9 mt -148.77 128.34 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -173.18 108.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 200' ' ' ALA . 7.1 p -136.17 143.43 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 199' ' ' VAL . . . -159.32 148.55 18.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -109.55 155.27 21.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.1 t -170.82 118.71 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 163.64 78.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 131.16 20.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 28.2 p -56.02 -49.14 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 37.5 p 39.76 42.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -110.27 158.79 18.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 0.0 110.796 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -115.59 -60.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.27 -125.71 3.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -128.13 145.23 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -114.62 148.63 37.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.84 -111.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -68.98 156.3 38.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.12 -32.22 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.25 -52.58 43.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -60.48 -36.04 77.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.15 75.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -72.44 -31.85 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.525 HD23 ' CZ ' ' A' ' 133' ' ' PHE . 29.2 mt -65.65 -45.06 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -71.92 -40.93 68.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.22 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' A' ' 133' ' ' PHE . 5.5 tt -65.63 -47.05 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.0 83.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.56 -38.09 78.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.81 -49.11 74.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.28 -38.27 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -66.51 -44.69 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.93 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.05 -50.06 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 t -65.3 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -66.04 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.5 mt -64.54 -37.65 88.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 108' ' ' LEU . 3.2 mp -71.7 -0.94 12.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.1 m -90.49 -21.86 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 120.62 28.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 111.122 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.511 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -52.49 -50.59 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -89.81 -67.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.445 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.7 m -90.36 76.96 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.03 -47.48 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.33 -42.16 88.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 20.9 tp -60.97 -36.48 79.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 83.8 t80 -66.83 -51.09 59.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.15 -25.31 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.42 -35.22 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 74.22 50.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 123' ' ' GLU . 6.5 p -83.57 153.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.439 ' N ' HG21 ' A' ' 122' ' ' VAL . 11.8 pt-20 -146.39 124.33 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.5 mt -59.73 145.55 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 t -115.18 -35.47 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 19.0 ttmt -163.63 146.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.459 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 66.6 t -125.66 128.06 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.2 t -107.79 119.11 38.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.6 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 36.1 p -69.81 153.52 95.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.527 0.679 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -35.17 13.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.48 4.06 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.525 ' CZ ' HD23 ' A' ' 93' ' ' LEU . 11.2 m-85 58.42 27.7 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -90.13 -75.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.08 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.33 101.99 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.89 141.41 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.12 21.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -100.96 126.92 47.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 45.4 p-90 -120.75 142.48 49.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' TRP . 16.4 mmtp -36.71 125.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 p -134.08 141.87 47.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.7 t -102.29 -179.69 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 143' ' ' THR . 8.4 tp -82.96 19.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 148' ' ' GLN . 1.1 t -102.13 110.13 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.95 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.91 -48.1 75.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.464 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 0.4 OUTLIER -68.76 -39.8 80.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -61.96 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.77 65.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.71 -50.3 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 26.7 mtp -64.8 -45.39 86.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -62.52 -39.33 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 -44.83 92.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 156' ' ' LEU . 7.6 p -71.48 -41.18 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.551 HD21 ' CD1' ' A' ' 181' ' ' PHE . 61.9 tp -68.29 -41.08 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.83 -51.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -64.64 -22.51 66.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -95.61 17.17 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -54.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.22 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.75 -41.62 77.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -59.82 -44.67 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -56.0 -44.12 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.7 -42.66 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.79 -34.99 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.84 -36.21 62.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.0 mtt -42.79 -32.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 19.1 t -41.49 -56.3 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -40.98 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -123.02 -39.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 73.2 m -38.45 -55.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . 0.43 ' CD1' ' CG2' ' A' ' 176' ' ' VAL . 1.8 pt? -62.69 161.47 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.47 -69.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.47 165.92 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.43 ' CG2' ' CD1' ' A' ' 173' ' ' LEU . 54.5 t -123.71 99.61 38.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.6 Cg_endo -69.76 169.94 17.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.72 21.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 53.4 mt -92.03 125.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.07 116.32 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.551 ' CD1' HD21 ' A' ' 156' ' ' LEU . 78.2 m-85 -82.15 121.68 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.5 t -119.22 143.07 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -71.19 128.01 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -45.43 -53.86 8.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -121.56 93.59 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -78.94 85.05 1.21 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.423 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -41.59 123.65 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -128.77 107.5 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -84.65 38.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 11.3 tp -83.69 40.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -127.62 159.71 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.57 107.62 8.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.94 40.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -97.52 79.1 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -107.37 112.39 25.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -135.38 138.11 42.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 12.8 tp -174.5 151.15 1.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -169.71 162.23 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.87 138.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -98.23 158.15 15.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.36 156.97 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 80.9 p -165.68 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 139.48 -175.94 21.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -177.23 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 16.1 t -155.07 126.49 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.7 t -155.36 148.0 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' ALA . 22.3 tp10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 27.6 t0 -35.86 -58.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -65.58 -33.03 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.0 -44.2 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -71.66 -36.98 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 133' ' ' PHE . 33.4 mt -65.62 -45.04 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -72.07 -43.94 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.95 -45.76 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.19 -46.28 77.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.75 -47.27 85.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.88 -38.47 60.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 173' ' ' LEU . 22.5 mt -60.97 -48.98 79.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD12 ' CD2' ' A' ' 96' ' ' LEU . 32.4 mt -66.46 -38.11 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 105' ' ' THR . 62.0 t80 -66.54 -42.2 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.8 -41.15 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.78 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.79 -42.48 73.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 HD13 ' A' ' 179' ' ' ILE . 29.6 mt -62.53 -50.22 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.82 -30.46 71.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.65 -41.67 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.04 -34.74 79.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -75.52 3.06 10.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.4 m -92.46 -30.85 15.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.5 m -113.76 117.56 44.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.22 -52.37 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.19 -55.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.6 p -92.06 70.06 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.38 -47.54 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.66 -42.44 86.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -59.51 -50.41 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 61.7 t80 -55.47 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -44.23 -30.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 155' ' ' VAL . 13.6 mt -78.45 -32.59 48.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 118' ' ' TYR . 47.1 t30 73.23 47.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.465 HG13 HD23 ' A' ' 108' ' ' LEU . 13.2 p -80.57 152.26 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -144.58 118.11 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.95 157.66 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.2 p -128.9 -40.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 2.1 tmmm? -160.44 148.62 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.93 127.91 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.7 t -106.46 113.14 26.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.4 tp -109.06 140.52 42.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.0 p -69.86 152.72 95.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 -27.89 26.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -81.6 -1.77 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.5 m-85 62.59 25.73 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 24.2 t -90.0 -76.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.65 147.21 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.485 ' SG ' HD13 ' A' ' 100' ' ' LEU . 26.2 t -123.73 101.85 7.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.87 141.8 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.73 130.21 39.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -100.96 132.37 46.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 142' ' ' THR . 22.1 p-90 -126.29 142.92 51.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -55.02 115.09 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.546 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.2 p -106.87 165.43 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -88.96 -177.58 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.4 33.74 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -141.5 121.13 13.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.24 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -60.24 -45.62 92.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.406 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.2 -45.11 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.58 -37.52 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.62 -49.29 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.401 ' HG2' HD13 ' A' ' 120' ' ' LEU . 23.2 mtp -62.57 -44.96 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.32 -38.77 90.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.59 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 120' ' ' LEU . 5.7 p -71.18 -42.83 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 117' ' ' LEU . 26.3 tp -67.55 -40.0 84.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.68 -52.04 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.8 ptp85 -66.08 -18.2 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.4 15.13 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -53.82 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.88 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.94 -44.15 82.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.3 mtm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.8 ttp-105 -55.84 -43.89 77.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -66.02 -42.27 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -56.97 -35.07 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.78 HD22 ' HB1' ' A' ' 103' ' ' ALA . 18.0 mt -75.56 -37.66 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.5 mtt -44.21 -39.7 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 22.6 t -36.96 -46.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.32 93.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 44.7 mt-30 -53.55 -40.15 65.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 97.5 m -37.34 -41.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 99' ' ' LEU . 4.1 mm? -67.17 120.77 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -69.51 -70.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.41 120.59 34.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.8 t -102.24 99.41 12.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.4 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.22 27.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.812 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -91.97 130.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.78 118.53 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 74.9 m-85 -81.99 131.41 35.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -125.12 141.21 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -71.14 128.92 37.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 9.9 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -35.89 -48.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.86 -42.0 99.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 173' ' ' LEU . 0.1 OUTLIER -69.67 -34.43 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 20.3 mt -66.24 -44.94 82.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.19 -44.64 71.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -65.54 -43.72 89.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.1 tt -69.23 -45.35 70.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.35 -47.84 75.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.49 -37.01 92.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 95' ' ' ALA . 21.1 mt -63.95 -48.9 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.4 mt -65.28 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.542 ' O ' HG22 ' A' ' 105' ' ' THR . 38.9 t80 -65.88 -43.91 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -42.42 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.06 -38.81 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -66.0 -50.04 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 101' ' ' TYR . 15.0 t -69.99 -25.31 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -42.81 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.49 -35.14 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.1 mp -70.31 -4.48 22.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.92 -21.82 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -119.03 112.44 36.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.125 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.83 -3.45 12.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.33 -52.24 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.99 HG21 HD11 ' A' ' 166' ' ' LEU . 10.1 p -92.13 -55.12 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 84.9 p -91.96 66.19 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.24 -46.76 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 114' ' ' SER . 7.6 tp -60.79 -50.88 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 54.7 t80 -53.48 -52.89 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -40.89 -33.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.636 HD13 ' HG2' ' A' ' 152' ' ' MET . 15.6 mt -80.73 -35.27 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 118' ' ' TYR . 6.9 t30 74.45 53.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.44 149.41 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -136.7 120.61 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.422 HD12 ' HB ' ' A' ' 105' ' ' THR . 19.7 mt -61.03 158.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -128.02 -38.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.39 155.29 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.0 t -124.68 131.98 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 137' ' ' ARG . 14.5 t -110.67 111.81 23.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 133' ' ' PHE . 13.9 tp -106.73 141.43 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 23.5 p -69.54 151.68 96.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.21 32.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.99 3.06 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.53 ' CD1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 58.5 26.07 13.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 81.7 p -90.24 -76.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.43 144.81 25.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.0 t -123.28 101.61 7.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' SER . 37.6 mtp180 -96.88 140.88 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.65 135.87 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -100.81 131.86 46.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CZ3' HG22 ' A' ' 142' ' ' THR . 14.4 p-90 -121.99 142.72 50.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -54.04 120.27 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -121.3 171.99 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.437 HG21 ' NE2' ' A' ' 148' ' ' GLN . 19.2 p -101.2 177.01 5.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.48 20.94 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.5 m -118.36 126.47 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -47.81 83.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.437 ' NE2' HG21 ' A' ' 143' ' ' THR . 2.8 tt0 -70.74 -41.06 72.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.31 -36.15 83.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.16 -49.48 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.636 ' HG2' HD13 ' A' ' 120' ' ' LEU . 41.2 mtp -60.38 -44.97 95.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.38 -39.02 91.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.13 -44.74 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.412 HG11 HD11 ' A' ' 120' ' ' LEU . 6.5 p -71.4 -41.12 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 54.3 tp -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -61.38 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 0.7 OUTLIER -65.51 -17.23 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.71 9.8 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.06 -49.25 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.79 -61.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -56.76 -43.3 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.1 mtm -57.05 -41.45 78.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.8 -46.02 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.09 -42.52 89.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.99 HD11 HG21 ' A' ' 113' ' ' VAL . 30.0 mt -55.64 -34.93 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.714 HD22 ' HB1' ' A' ' 103' ' ' ALA . 10.7 mt -75.36 -41.24 56.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 167' ' ' LEU . 16.7 mtt -37.87 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 167' ' ' LEU . 66.5 m -46.74 -51.21 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -37.79 135.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.54 39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 62.5 m -120.62 -52.84 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 174' ' ' ARG . 2.4 pp -65.06 170.55 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 173' ' ' LEU . 9.1 tpt180 -90.35 -75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.51 ' O ' HD13 ' A' ' 173' ' ' LEU . 3.5 t30 -116.6 155.69 28.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 173' ' ' LEU . 46.1 t -120.0 98.63 49.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.73 170.13 17.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.55 28.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.801 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -91.87 127.2 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.17 116.02 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.571 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.0 m-85 -81.85 132.44 35.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.82 143.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.59 128.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 17.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.8 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -39.63 -44.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -63.2 -38.54 91.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.83 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -72.27 -32.75 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.3 mt -66.04 -45.15 82.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -72.2 -44.3 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.08 -48.02 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -64.8 -46.65 81.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.66 -48.11 82.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.73 -34.89 62.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.9 mt -66.24 -46.93 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.5 mt -66.79 -38.17 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 105' ' ' THR . 32.1 t80 -66.91 -42.81 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -72.07 -42.85 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.746 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.78 -40.93 75.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HD13 ' A' ' 179' ' ' ILE . 39.7 mt -63.05 -50.04 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 101' ' ' TYR . 6.7 t -67.61 -27.29 66.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.99 -41.13 82.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.51 -33.42 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -72.62 -0.47 13.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.1 m -91.63 -27.96 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.23 113.79 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.6 -51.65 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 166' ' ' LEU . 10.6 p -91.65 -54.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.663 ' N ' HG13 ' A' ' 113' ' ' VAL . 28.5 p -91.78 65.09 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.01 -47.29 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 155' ' ' VAL . 0.6 OUTLIER -66.19 -42.13 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 156' ' ' LEU . 11.4 tp -61.66 -46.66 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 40.9 t80 -56.93 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -45.36 -36.16 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 155' ' ' VAL . 15.3 mt -78.42 -29.5 47.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 t30 67.18 52.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 117' ' ' LEU . 7.3 p -78.89 147.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -130.87 117.86 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.22 148.74 49.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.2 t -114.65 -41.74 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -168.71 159.85 10.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.5 t -123.41 129.33 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.7 t -108.03 114.93 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.2 tp -110.53 141.17 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.2 p -69.86 153.51 95.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.12 31.22 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.92 0.59 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.587 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.4 m-85 59.92 24.94 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.2 t -90.16 -75.15 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.39 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.47 101.87 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -87.75 141.04 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.96 126.51 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -101.35 131.52 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' HG22 ' A' ' 142' ' ' THR . 39.5 p-90 -125.53 148.48 48.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -56.36 122.81 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.561 HG22 ' CH2' ' A' ' 140' ' ' TRP . 68.8 p -122.99 173.18 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.1 p -98.37 175.67 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -88.13 36.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 m -137.03 131.86 33.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.0 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.77 -45.4 94.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.492 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.46 -40.54 85.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.1 -38.72 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.02 -46.61 86.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -60.74 -49.83 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.798 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 38.3 mtp -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -62.48 -38.34 89.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.9 83.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.43 -41.07 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 117' ' ' LEU . 49.5 tp -68.37 -45.77 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.11 -51.28 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 159' ' ' SER . 3.3 ptp180 -58.31 -32.92 68.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -88.54 18.3 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.1 -47.5 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -57.25 -42.03 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.4 mtm -58.58 -40.91 84.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -55.47 -46.22 76.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.38 -41.95 88.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 113' ' ' VAL . 40.8 mt -55.29 -34.92 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.746 HD22 ' HB1' ' A' ' 103' ' ' ALA . 12.3 mt -80.26 -33.8 37.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.2 mmt -49.0 -24.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.6 m -50.77 -42.89 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -45.25 163.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 172' ' ' THR . 14.4 pt20 -121.14 -37.98 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 171' ' ' GLN . 35.7 m -36.99 -72.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 1.052 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -51.42 170.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -110.44 -36.08 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' CD ' ' A' ' 174' ' ' ARG . 9.4 p-10 -139.52 150.28 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 173' ' ' LEU . 37.8 t -117.26 99.13 52.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 111.185 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.69 168.51 21.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.28 23.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.687 HD13 HD21 ' A' ' 104' ' ' LEU . 61.0 mt -91.93 122.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.1 115.85 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 56.9 m-85 -81.99 124.28 29.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 88.9 t -123.93 138.09 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.53 127.96 34.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' GLU . 28.5 m-20 -36.96 -48.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.05 -39.05 93.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -67.32 -47.12 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -70.97 -32.47 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 28.6 mt -65.61 -45.1 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.08 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.43 -45.93 78.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -67.59 -47.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.38 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -36.69 68.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 173' ' ' LEU . 20.9 mt -63.81 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 96' ' ' LEU . 26.1 mt -64.46 -38.32 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.79 ' O ' HG22 ' A' ' 105' ' ' THR . 61.0 t80 -65.41 -42.83 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -39.57 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.908 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.39 -42.89 74.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 179' ' ' ILE . 22.3 mt -62.98 -50.34 71.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 101' ' ' TYR . 4.9 t -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.9 -38.18 82.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.64 -36.04 75.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -75.78 5.57 6.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.3 m -96.57 -28.57 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -112.17 115.78 49.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.73 3.15 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -58.14 -51.99 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.047 HG21 HD11 ' A' ' 166' ' ' LEU . 10.5 p -91.86 -54.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.665 ' N ' HG13 ' A' ' 113' ' ' VAL . 76.9 p -91.89 64.86 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.51 -46.61 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG3' ' CG2' ' A' ' 155' ' ' VAL . 0.1 OUTLIER -65.25 -39.71 93.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 9.1 tp -64.44 -51.11 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 38.3 t80 -52.83 -49.67 65.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -41.67 -30.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.578 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -87.5 -32.7 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 118' ' ' TYR . 7.1 t-20 71.91 54.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.4 p -79.54 151.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -137.23 125.09 22.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 104' ' ' LEU . 29.5 mt -61.57 156.5 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.4 p -128.31 -39.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 21.3 ttpt -167.75 150.56 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 48.2 t -124.89 126.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -108.98 118.23 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 133' ' ' PHE . 12.4 tp -110.36 141.1 43.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -69.82 153.94 95.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.701 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.46 31.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.26 3.11 53.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CD1' HD21 ' A' ' 129' ' ' LEU . 21.7 m-85 58.56 28.15 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.4 m -90.36 -76.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.83 151.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.9 t -129.63 101.76 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.63 141.15 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.4 124.67 26.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.405 ' HB3' ' CG ' ' A' ' 184' ' ' ASP . 95.7 m-85 -100.65 132.48 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.571 ' CH2' HG22 ' A' ' 142' ' ' THR . 18.8 p-90 -123.6 160.24 27.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.33 119.76 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.571 HG22 ' CH2' ' A' ' 140' ' ' TRP . 18.7 p -113.86 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.0 p -89.52 -177.93 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 tp -80.62 -23.94 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.5 m -90.11 130.32 36.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.36 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.98 -48.02 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 14.7 tm0? -61.34 -38.24 86.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.86 -37.17 86.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.53 -47.69 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.01 -50.98 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.578 ' HG2' HD13 ' A' ' 120' ' ' LEU . 8.5 mtp -65.11 -42.92 93.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 116' ' ' GLU . 5.4 p -71.3 -41.76 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.9 tp -66.97 -44.77 79.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.99 -50.68 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -62.5 -28.54 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -86.58 18.26 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.91 -46.32 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.36 -60.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.97 -41.34 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.3 mtt -56.86 -47.86 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.81 -45.99 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.59 -42.82 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.047 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -55.62 -36.93 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.908 HD22 ' HB1' ' A' ' 103' ' ' ALA . 42.5 mt -72.84 -40.75 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 169' ' ' SER . 22.0 mtt -40.78 -39.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 168' ' ' MET . 4.9 t -37.24 -43.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -51.72 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 172' ' ' THR . 29.9 tp60 -128.73 -56.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.0 p -37.08 -35.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 99' ' ' LEU . 4.0 mp -70.87 135.75 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.57 -73.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.95 137.96 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 83.9 t -116.25 99.4 52.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.668 0.747 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.3 Cg_endo -69.79 170.08 17.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 131.39 21.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 104' ' ' LEU . 60.8 mt -91.87 125.06 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.42 116.77 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.575 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.84 124.76 29.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.78 143.77 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.72 133.88 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.405 ' CG ' ' HB3' ' A' ' 139' ' ' TYR . 3.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.1 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -38.68 -51.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.56 -36.63 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.72 -47.9 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.32 -34.3 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -64.04 -44.82 91.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -70.76 -43.09 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.57 -41.33 88.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.2 tt -69.37 -45.75 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.16 -46.03 82.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.03 -41.4 71.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.499 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.4 mt -60.27 -46.96 88.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 mt -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.02 -44.72 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' THR . 16.5 tppt? -69.74 -46.62 65.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.24 -37.66 88.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 124' ' ' LEU . 25.1 mt -65.87 -50.09 65.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 102' ' ' LYS . 8.9 t -62.91 -28.15 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.28 -46.11 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.32 -32.71 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -76.68 -1.0 25.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 96.2 m -95.1 -17.34 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' OE1' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -117.79 113.61 37.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.145 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.8 -2.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.612 ' OE1' HG21 ' A' ' 110' ' ' THR . 28.5 mt-10 -54.89 -51.78 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.816 HG21 HD11 ' A' ' 166' ' ' LEU . 9.9 p -92.06 -55.27 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.671 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -92.14 65.47 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.76 -47.15 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.671 HD11 HG11 ' A' ' 122' ' ' VAL . 15.0 tp -62.91 -51.35 67.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 46.6 t80 -51.65 -48.21 63.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -23.08 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD13 ' HG2' ' A' ' 152' ' ' MET . 43.7 mt -90.21 -34.58 15.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.9 44.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -72.35 157.68 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.505 ' N ' HG22 ' A' ' 122' ' ' VAL . 29.0 mt-10 -144.42 122.91 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.3 mt -63.03 145.51 55.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.3 p -114.12 -36.17 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -173.89 155.79 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.61 132.69 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -112.83 118.29 34.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 133' ' ' PHE . 15.3 tp -110.93 141.2 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.474 HG23 ' NH1' ' A' ' 137' ' ' ARG . 1.6 p -69.71 156.16 92.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.55 29.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.73 4.36 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.679 ' CD1' HD21 ' A' ' 129' ' ' LEU . 7.5 m-85 54.98 25.5 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 17.3 t -90.06 -75.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.04 151.66 21.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.7 t -131.15 101.92 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.474 ' NH1' HG23 ' A' ' 130' ' ' THR . 0.2 OUTLIER -85.52 141.73 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -130.76 125.64 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -100.93 131.31 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 142' ' ' THR . 33.3 p-90 -125.07 142.79 51.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -41.59 124.1 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 140' ' ' TRP . 11.5 p -134.9 -176.38 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.1 t -137.79 177.0 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 143' ' ' THR . 13.6 tp -77.01 5.91 7.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -91.27 103.97 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.68 -48.0 78.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -69.52 -36.98 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -68.52 -38.09 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.64 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.45 -47.92 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 37.8 mtp -64.42 -42.56 95.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.12 98.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.93 92.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.47 -40.72 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.6 tp -66.05 -42.69 89.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -62.18 -51.96 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -63.52 -14.09 47.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 18.1 m -103.98 6.27 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.7 -49.1 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.91 -59.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -56.86 -43.18 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.9 mtm -57.74 -43.05 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -55.96 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -63.99 -44.99 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.816 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -55.53 -34.92 65.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.6 mt -73.87 -39.03 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.5 mtt -41.98 -40.07 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 8.2 t -38.77 -53.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 167' ' ' LEU . 4.7 mp0 -54.25 93.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.6 pt20 -54.72 -39.44 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 171' ' ' GLN . 10.5 t -34.73 -40.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.499 ' HG ' HD13 ' A' ' 99' ' ' LEU . 9.2 mt -78.79 118.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -62.18 -69.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 175' ' ' ASN . 1.0 OUTLIER -119.9 131.87 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.8 t -109.59 99.41 37.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.0 Cg_endo -69.77 170.0 17.6 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 134.32 27.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.638 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -92.79 135.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.25 117.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -82.08 126.38 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.27 143.92 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.05 131.85 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.9 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.82 -45.3 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -65.39 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.57 -47.17 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 13.7 ttm105 -71.39 -29.02 64.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 HD23 ' A' ' 129' ' ' LEU . 24.7 mt -65.46 -44.9 85.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -71.91 -44.35 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.67 -46.52 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.2 tt -66.09 -46.96 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.4 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.58 62.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.669 HD13 ' CB ' ' A' ' 173' ' ' LEU . 21.5 mt -62.46 -49.34 75.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 96' ' ' LEU . 35.7 mt -67.05 -39.72 86.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -66.75 -42.49 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.7 -41.15 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.945 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.25 -42.77 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 179' ' ' ILE . 24.2 mt -63.3 -50.49 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -65.04 -28.13 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.39 -35.0 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.69 -34.66 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -74.67 1.57 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.43 -34.04 15.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m -108.68 117.0 55.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.2 2.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.232 . . . . 0.0 112.354 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.67 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.62 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 25.6 p -92.61 68.52 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -60.17 -47.46 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.77 -41.97 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 14.3 tp -62.27 -40.81 97.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 63.1 t80 -61.66 -51.79 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -45.39 -33.01 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 117' ' ' LEU . 10.6 mt -76.72 -30.81 56.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' TYR . 65.0 t30 68.41 44.57 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.48 147.45 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -135.03 123.53 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.0 mt -50.57 153.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -120.34 -40.89 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 24.7 ttmt -170.36 147.43 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.471 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 96.3 t -121.45 126.53 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.8 t -109.08 119.01 38.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.6 tp -109.51 139.59 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.1 p -70.04 154.24 94.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -24.1 30.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.42 4.85 37.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD1' HD21 ' A' ' 129' ' ' LEU . 8.6 m-85 54.51 25.07 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.41 ' O ' ' HD2' ' A' ' 178' ' ' PRO . 0.9 OUTLIER -90.85 -73.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.73 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.39 148.4 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 100' ' ' LEU . 29.5 t -126.55 102.55 7.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.92 140.76 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.69 120.62 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -100.99 127.38 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.493 ' CH2' HG22 ' A' ' 142' ' ' THR . 26.0 p-90 -120.1 155.99 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -58.41 122.09 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.493 HG22 ' CH2' ' A' ' 140' ' ' TRP . 44.0 p -123.1 158.59 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.9 p -89.66 171.76 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.5 tp -85.85 35.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.3 m -137.17 122.74 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.14 96.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.87 -47.42 85.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.57 -43.07 90.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.31 -35.9 80.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.57 -49.84 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 19.8 mtp -64.43 -45.0 89.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.0 -36.9 82.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.36 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.29 -40.87 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 181' ' ' PHE . 40.8 tp -69.35 -44.34 71.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.1 -52.13 65.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.9 ppt_? -64.01 -14.25 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.7 m -103.35 18.1 22.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.96 -50.55 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -59.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -56.81 -42.92 80.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 3.9 mtm -56.92 -46.31 82.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -55.85 -45.02 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.39 -42.42 92.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 113' ' ' VAL . 46.9 mt -55.78 -37.04 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.945 HD22 ' HB1' ' A' ' 103' ' ' ALA . 56.3 mt -74.27 -38.11 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.8 mtt -45.83 -30.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.7 t -40.33 -46.82 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -78.1 138.69 38.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 36.8 mm-40 -101.34 -32.71 10.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 57.5 m -37.29 -52.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.669 ' CB ' HD13 ' A' ' 99' ' ' LEU . 4.4 pp -60.25 171.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 175' ' ' ASN . 21.5 mmt180 -103.98 -174.65 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 174' ' ' ARG . 8.8 t30 -34.1 127.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.487 HG22 HD13 ' A' ' 173' ' ' LEU . 58.2 t -102.32 98.92 11.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.07 17.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.79 132.84 24.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.625 HD13 HD21 ' A' ' 104' ' ' LEU . 61.7 mt -91.93 130.78 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 42.5 t -122.35 116.42 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.576 ' CD1' HD21 ' A' ' 156' ' ' LEU . 68.6 m-85 -82.0 121.17 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.73 143.99 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 47.9 mt-30 -71.22 128.46 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -43.19 -43.43 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -67.98 -38.25 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.2 -47.76 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -71.9 -37.32 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.69 -45.24 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -72.24 -41.69 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.36 -48.9 68.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.4 tt -63.92 -47.05 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.3 -36.08 83.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.408 HD22 ' OE1' ' A' ' 170' ' ' GLN . 22.1 mt -64.06 -45.9 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 136' ' ' CYS . 36.8 mt -66.65 -36.14 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.693 ' O ' HG22 ' A' ' 105' ' ' THR . 57.5 t80 -66.61 -41.47 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.93 -42.92 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.98 -40.57 75.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 HD13 ' A' ' 179' ' ' ILE . 35.3 mt -63.46 -50.11 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 101' ' ' TYR . 10.2 t -66.72 -28.24 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.63 -40.84 84.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.94 -38.42 91.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -70.16 -2.18 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 70.3 m -89.71 -26.9 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 114.5 42.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.517 0.675 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.75 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.76 -52.07 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 166' ' ' LEU . 7.4 p -91.94 -58.42 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 37.3 m -92.73 69.13 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.5 -47.03 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.38 -42.31 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 7.6 tp -59.59 -51.19 70.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 47.0 t80 -52.03 -49.54 63.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.72 -40.33 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' HG2' ' A' ' 152' ' ' MET . 14.7 mt -77.15 -26.38 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' TYR . 11.2 m120 62.43 54.49 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 117' ' ' LEU . 7.4 p -80.12 150.59 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -134.3 123.75 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 105' ' ' THR . 27.4 mt -63.64 157.86 22.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 t -127.68 -40.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -164.12 159.02 19.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.72 127.44 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -103.21 113.3 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.0 tp -107.68 140.98 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 p -69.98 151.26 96.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -26.1 27.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.3 6.25 37.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.585 ' CD1' HD13 ' A' ' 96' ' ' LEU . 27.3 m-85 56.64 27.56 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.0 t -90.13 -76.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 153.49 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 14.3 t -129.58 102.42 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.37 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.6 127.14 36.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.95 134.78 43.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.694 ' CZ3' HG22 ' A' ' 142' ' ' THR . 39.8 p-90 -130.42 142.24 50.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.694 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 81.2 p -124.2 170.33 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.451 HG23 ' NE2' ' A' ' 148' ' ' GLN . 65.1 p -97.66 170.41 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -86.85 34.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 m -132.73 117.98 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.57 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.23 -45.8 83.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.6 tm0? -69.27 -46.02 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -60.17 -38.33 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.08 64.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -61.8 -50.48 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.718 ' HG2' HD13 ' A' ' 120' ' ' LEU . 15.7 mtp -62.93 -45.84 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -62.1 -37.32 84.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.14 90.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 120' ' ' LEU . 4.1 p -70.9 -40.78 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 61.4 tp -69.13 -45.25 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.14 -52.16 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.3 ppt_? -64.31 -17.24 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.7 m -101.38 13.69 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.79 -47.95 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -62.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -56.95 -42.78 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.7 mtm -57.37 -40.05 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -55.9 -45.4 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -66.07 -41.81 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 113' ' ' VAL . 46.1 mt -57.06 -34.63 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' A' ' 103' ' ' ALA . 28.9 mt -79.07 -32.99 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.3 mmt -50.42 -34.82 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.7 t -40.54 -44.46 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLN . . . . . 0.408 ' OE1' HD22 ' A' ' 99' ' ' LEU . 29.3 mt-30 -51.66 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -85.82 44.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 55.1 m -115.47 -64.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 1.002 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -52.98 177.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -94.11 -69.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -126.15 142.69 51.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 173' ' ' LEU . 46.2 t -105.18 99.22 18.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.7 169.96 17.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.0 24.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.81 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -91.93 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.27 115.14 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.8 m-85 -82.07 129.6 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.15 137.59 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -75.37 128.18 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.6 mt-10 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -36.88 -52.63 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.1 -36.47 84.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.27 -48.07 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -32.42 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 133' ' ' PHE . 24.6 mt -64.81 -45.02 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.28 -44.28 72.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.76 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.0 tt -67.6 -40.87 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.96 -47.77 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.28 -39.52 71.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 136' ' ' CYS . 28.9 mt -64.88 -40.99 95.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.707 ' O ' HG22 ' A' ' 105' ' ' THR . 59.4 t80 -66.05 -40.97 91.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -73.02 -41.14 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.799 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.22 -41.68 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 179' ' ' ILE . 25.1 mt -64.13 -50.3 68.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.7 t -63.76 -32.24 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -39.81 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.77 -37.54 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -71.27 -1.82 14.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 65.0 m -90.24 -27.21 19.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.26 111.32 64.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.81 4.7 2.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -51.7 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.082 HG21 HD11 ' A' ' 166' ' ' LEU . 10.7 p -91.54 -54.63 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.662 ' N ' HG13 ' A' ' 113' ' ' VAL . 11.2 p -91.75 52.58 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.64 -47.35 82.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.64 -42.24 99.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.557 HD11 HG11 ' A' ' 122' ' ' VAL . 25.9 tp -69.03 -36.69 78.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 39.0 t80 -60.22 -44.0 95.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.65 -28.21 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 155' ' ' VAL . 30.0 mt -83.42 -16.71 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.0 t30 52.95 54.77 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 117' ' ' LEU . 8.8 p -85.7 147.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.2 117.83 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.92 144.13 29.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -111.18 -41.45 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 139' ' ' TYR . 13.4 pttp -166.32 160.08 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -128.56 128.71 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.7 t -109.76 113.21 25.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.536 HD22 HD22 ' A' ' 96' ' ' LEU . 19.1 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 p -69.73 153.24 95.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.73 23.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.67 -0.77 44.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' HD13 ' A' ' 96' ' ' LEU . 16.0 m-85 62.46 28.53 16.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -90.28 -77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.94 148.73 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 100' ' ' LEU . 5.6 t -123.61 101.79 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.81 138.95 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.87 123.0 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' HB2' ' CG ' ' A' ' 126' ' ' LYS . 5.8 m-85 -100.95 124.08 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.628 ' O ' HG23 ' A' ' 142' ' ' THR . 42.7 p-90 -121.54 143.26 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.508 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -37.42 134.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 140' ' ' TRP . 25.8 p -141.48 140.92 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.431 HG22 ' NE2' ' A' ' 148' ' ' GLN . 2.8 t -96.88 175.96 6.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.4 tt -84.01 23.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.11 98.36 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.18 -32.6 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.81 -46.14 86.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.431 ' NE2' HG22 ' A' ' 143' ' ' THR . 28.1 tt0 -71.57 -39.76 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 93.9 m-20 -65.86 -41.0 92.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.36 -49.77 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -67.59 -48.99 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 35.8 mtp -62.45 -44.17 97.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.8 tt0 -62.37 -40.05 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.69 92.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 120' ' ' LEU . 6.4 p -71.45 -41.75 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.3 tp -67.83 -41.22 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -61.79 -51.17 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -63.64 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -81.99 15.78 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.06 -54.3 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.87 -58.67 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -56.89 -44.31 82.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.7 mtm -57.38 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.83 -44.06 77.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -64.92 -42.24 94.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.082 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -58.13 -34.99 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.799 HD22 ' HB1' ' A' ' 103' ' ' ALA . 21.2 mt -76.33 -33.74 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 25.7 mtt -51.64 -33.58 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 22.5 m -40.69 -43.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.28 97.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.5 mp0 -57.27 -35.53 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.0 m -35.42 -54.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.45 127.68 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.61 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -127.46 131.98 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 80.4 t -110.95 99.36 42.41 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.7 Cg_endo -69.73 170.04 17.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 133.76 26.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.734 2.29 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 104' ' ' LEU . 63.9 mt -91.93 124.1 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.18 117.22 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.574 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 69.3 m-85 -81.9 132.57 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.73 142.45 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.88 127.93 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.75 -46.45 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -67.77 -40.22 84.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.89 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -72.62 -33.07 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.88 -44.55 89.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -71.46 -43.1 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.53 -44.28 82.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -65.8 -46.7 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.2 -47.41 86.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.88 60.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.418 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 23.2 mt -63.35 -50.07 71.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -67.95 -40.35 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.675 ' O ' HG22 ' A' ' 105' ' ' THR . 44.4 t80 -66.16 -42.61 88.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -72.87 -41.1 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.915 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.81 -41.97 74.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.072 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.721 HD21 HD13 ' A' ' 179' ' ' ILE . 23.4 mt -62.28 -50.32 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.4 t -64.6 -31.2 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.96 -35.56 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.37 -36.43 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -73.1 0.61 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.87 -25.26 21.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -117.81 116.12 36.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 111.177 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.72 3.52 2.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' H ' ' A' ' 114' ' ' SER . 6.3 p -91.94 -58.69 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 68.0 m -92.37 69.59 5.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -60.45 -46.5 89.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.33 -42.42 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 11.8 tp -60.38 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 57.7 t80 -56.09 -50.53 70.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.92 -40.9 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -76.05 -28.77 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 118' ' ' TYR . 2.9 t-20 64.62 54.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.9 150.25 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.44 121.47 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.8 146.51 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.4 t -111.75 -43.99 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -167.39 158.59 11.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.9 t -125.44 134.81 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' ARG . 7.6 p -112.89 118.75 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 96' ' ' LEU . 15.9 tp -110.55 141.45 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.4 p -69.57 152.82 96.16 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -25.88 28.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.17 2.25 40.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 58.1 25.73 12.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.9 t -90.27 -76.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.78 149.15 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.57 ' SG ' HD13 ' A' ' 100' ' ' LEU . 18.7 t -126.87 101.6 6.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 128' ' ' SER . 1.6 mpt_? -90.59 141.35 28.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.98 128.59 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.93 132.06 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.51 ' CH2' HG22 ' A' ' 142' ' ' THR . 32.6 p-90 -129.01 148.61 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -54.86 126.21 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.51 HG22 ' CH2' ' A' ' 140' ' ' TRP . 39.1 p -123.87 159.72 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.518 HG23 ' NE2' ' A' ' 148' ' ' GLN . 68.4 p -91.16 172.71 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.51 36.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -134.25 122.33 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.58 -44.32 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.518 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.2 tm0? -69.52 -44.9 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.0 -50.03 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -61.66 -50.38 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.557 ' HG2' HD13 ' A' ' 120' ' ' LEU . 28.1 mtp -61.82 -45.54 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.48 86.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 120' ' ' LEU . 5.4 p -71.08 -41.14 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 62.9 tp -69.28 -45.69 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.11 -52.28 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -16.16 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.2 m -101.67 17.07 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.53 -47.75 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.04 -44.22 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 178' ' ' PRO . 18.7 ttm180 -55.79 -45.9 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.86 -42.34 90.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 113' ' ' VAL . 35.3 mt -56.06 -34.87 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.915 HD22 ' HB1' ' A' ' 103' ' ' ALA . 51.0 mt -77.63 -36.36 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.48 -36.82 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 168' ' ' MET . 11.2 t -37.68 -44.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.4 OUTLIER -53.42 160.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.9 mp0 -116.24 -43.62 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.2 p -34.12 -64.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.658 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -49.54 163.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -106.57 -59.2 1.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -130.25 131.3 45.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 29.6 t -105.32 99.68 21.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.77 170.09 17.39 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.444 ' HA ' ' NE ' ' A' ' 164' ' ' ARG . 53.7 Cg_endo -69.79 133.84 26.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.721 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -92.06 128.93 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 63.2 t -125.89 115.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 84.9 m-85 -82.02 134.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 72.0 t -128.46 136.93 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -73.86 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.9 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.88 0.371 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.523 ' OD2' HD11 ' A' ' 93' ' ' LEU . 4.5 t70 -41.11 -43.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -65.29 -34.82 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.3 -47.74 66.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -72.98 -32.41 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' OD2' ' A' ' 89' ' ' ASP . 30.8 mt -65.68 -45.05 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -72.04 -42.36 66.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.92 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 129' ' ' LEU . 5.4 tt -67.31 -47.06 71.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -47.03 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.54 59.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.597 HD13 ' HG ' ' A' ' 173' ' ' LEU . 22.4 mt -57.06 -49.42 75.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -65.12 -37.68 88.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -65.79 -45.0 84.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.24 -43.39 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.87 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 124' ' ' LEU . 31.0 mt -67.78 -50.02 59.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 101' ' ' TYR . 13.1 t -67.78 -23.21 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.27 -41.14 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.15 -35.1 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -72.85 1.57 8.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.8 m -97.38 -10.84 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 113.1 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.169 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.756 2.304 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -57.26 -51.44 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 166' ' ' LEU . 6.9 p -91.18 -58.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.673 ' H ' HG13 ' A' ' 113' ' ' VAL . 55.4 m -92.46 69.9 5.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.98 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -64.29 -41.7 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 156' ' ' LEU . 13.8 tp -61.66 -51.17 69.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 42.8 t80 -52.98 -47.33 68.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -23.25 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 155' ' ' VAL . 13.9 mt -90.12 -22.43 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.9 m120 62.11 54.42 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.96 145.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.05 116.9 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.2 mt -50.93 159.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -130.71 -36.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -166.28 152.82 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.5 t -127.36 127.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 t -111.25 116.17 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 96' ' ' LEU . 21.8 tp -108.93 141.33 41.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 69.5 p -69.59 152.2 96.34 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.49 23.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.279 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -81.64 1.7 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 92' ' ' ARG . 8.9 m-85 59.75 26.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 4.8 m -90.2 -76.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.32 21.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 100' ' ' LEU . 11.6 t -126.42 101.82 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.14 140.3 31.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.99 122.62 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -100.99 130.43 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.568 ' CZ3' HG22 ' A' ' 142' ' ' THR . 12.0 p-90 -122.75 159.26 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -66.69 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.568 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 62.8 p -120.88 172.28 8.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.581 HG23 ' NE2' ' A' ' 148' ' ' GLN . 77.6 p -102.18 175.48 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -87.94 30.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -127.98 128.74 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.02 87.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -61.81 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.581 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.4 tm0? -68.47 -37.19 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.0 -38.04 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.98 -50.02 63.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -65.34 -50.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.482 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 48.1 mtp -59.04 -46.21 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.53 -36.82 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.79 77.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 120' ' ' LEU . 7.1 p -71.25 -42.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.541 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 49.9 tp -68.98 -40.04 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.17 -52.06 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.3 ptp85 -65.62 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -95.09 8.36 43.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.06 -47.56 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.62 -60.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -57.49 -43.09 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.1 mtm -57.0 -42.32 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -56.0 -44.77 78.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -65.9 -42.05 90.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 113' ' ' VAL . 52.4 mt -57.19 -34.67 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.87 HD22 ' HB1' ' A' ' 103' ' ' ALA . 17.2 mt -75.07 -39.72 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' SER . 3.8 mtt -43.46 -35.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' MET . 33.1 t -37.83 -50.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.69 127.44 32.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -86.58 -28.3 23.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 19.9 p -49.21 -19.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.597 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -95.05 129.12 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -76.04 -69.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.32 128.64 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.435 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 48.2 t -108.2 99.42 31.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.443 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.9 Cg_endo -69.73 170.09 17.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.517 HD13 HD21 ' A' ' 104' ' ' LEU . 61.5 mt -91.98 136.09 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.42 117.9 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 64.1 m-85 -82.15 131.24 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.69 142.04 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.52 128.87 37.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.1 pp20? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -38.84 -49.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -65.61 -38.86 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.5 -46.02 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -69.2 -32.27 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.9 mt -64.68 -45.15 87.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -72.09 -44.86 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.95 74.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -63.64 -46.37 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.26 -47.99 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.03 -35.81 79.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.21 -48.28 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 96' ' ' LEU . 39.7 mt -66.55 -39.76 88.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 105' ' ' THR . 54.8 t80 -66.17 -42.57 88.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -70.65 -42.26 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.95 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.31 -40.12 74.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -63.04 -50.49 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.0 -32.46 74.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.22 -36.66 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD13 ' HG2' ' A' ' 163' ' ' MET . 21.8 mt -68.59 -38.88 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 4.1 mp -71.94 1.22 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 78.9 m -90.99 -27.69 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -115.91 118.65 38.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.73 -51.66 37.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 166' ' ' LEU . 5.8 p -91.53 -59.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.684 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.2 m -92.69 69.3 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -59.05 -46.93 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.72 -42.02 91.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 156' ' ' LEU . 14.2 tp -62.48 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 78.2 t80 -60.32 -46.33 90.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.7 -28.73 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 155' ' ' VAL . 17.7 mt -83.3 -21.75 33.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.62 36.44 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.6 145.95 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.7 124.63 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.1 149.55 47.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 t -115.96 -40.39 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 159.56 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -126.58 130.67 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -110.08 116.05 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.3 tp -108.67 141.2 40.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.4 p -69.66 154.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.712 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.21 14.95 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 129' ' ' LEU . 20.0 m-85 47.18 30.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -90.36 -76.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.61 150.33 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.4 t -123.29 101.69 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -85.83 138.69 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.22 123.38 28.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -101.01 129.63 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 142' ' ' THR . 13.2 p-90 -119.57 143.89 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -49.77 119.56 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 140' ' ' TRP . 34.9 p -124.96 163.62 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.7 p -102.49 -178.93 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -87.03 36.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 m -134.22 121.92 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.47 -28.22 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.38 -48.03 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.4 pp0? -70.72 -37.5 73.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 15.3 m-80 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.8 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.11 -50.63 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.62 -44.07 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 26.4 tt0 -62.6 -38.97 92.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.76 86.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.45 -41.77 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 117' ' ' LEU . 54.3 tp -67.96 -43.54 78.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -60.03 -50.32 74.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 159' ' ' SER . 2.7 ptp180 -60.41 -30.14 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -89.81 17.3 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.01 -45.69 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -57.11 -42.5 80.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' MET . . . . . 0.443 ' HG2' HD13 ' A' ' 107' ' ' LEU . 5.0 mtm -56.97 -43.96 82.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -56.32 -46.11 80.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -66.08 -42.82 88.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.712 HD11 HG21 ' A' ' 113' ' ' VAL . 36.9 mt -55.63 -34.92 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.95 HD22 ' HB1' ' A' ' 103' ' ' ALA . 14.1 mt -75.85 -39.79 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 14.2 mtt -40.94 -31.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 t -39.79 -52.15 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -43.99 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 172' ' ' THR . 13.6 mm100 -124.45 -47.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 171' ' ' GLN . 45.8 p -36.86 -47.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.1 pt? -64.24 156.85 27.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -88.9 -72.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -122.03 163.41 19.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 173' ' ' LEU . 61.6 t -124.65 99.47 35.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.78 169.83 18.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.71 23.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.512 HD13 HD21 ' A' ' 104' ' ' LEU . 54.0 mt -91.92 126.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 55.9 t -124.34 115.85 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.8 m-85 -81.88 124.45 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 73.6 t -121.35 144.09 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.83 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 18.7 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -41.27 -46.23 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.52 -37.35 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.73 -46.93 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.478 ' HD3' ' NE ' ' A' ' 174' ' ' ARG . 1.5 tpm_? -70.71 -32.52 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -65.18 -45.08 86.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -72.05 -44.85 62.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.14 92.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.9 tt -66.14 -47.12 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -59.5 -48.28 82.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -40.56 67.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 173' ' ' LEU . 28.5 mt -60.67 -45.67 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 96' ' ' LEU . 25.0 mt -66.52 -38.34 86.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.609 ' O ' HG22 ' A' ' 105' ' ' THR . 80.6 t80 -66.23 -44.08 84.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -73.35 -40.56 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.873 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.78 -42.64 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 179' ' ' ILE . 57.5 mt -64.9 -49.94 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.2 t -63.99 -28.4 69.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.5 -42.51 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.66 -35.84 81.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.2 mp -75.4 -1.32 23.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -93.33 -18.81 22.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 112' ' ' GLU . 3.0 m -122.15 117.63 29.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 110' ' ' THR . 3.9 mm-40 -53.54 -53.4 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 166' ' ' LEU . 8.1 p -93.46 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -93.46 69.55 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.67 -46.58 89.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.45 -42.4 95.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 122' ' ' VAL . 20.9 tp -63.33 -40.65 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 82.8 t80 -61.0 -45.98 92.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.88 -33.72 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 152' ' ' MET . 10.9 mt -79.38 -24.43 42.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 61.48 53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -80.74 147.93 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -134.94 117.04 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.6 mt -55.97 159.86 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.7 p -129.21 -38.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -165.37 154.49 12.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.89 126.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -106.89 115.62 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 133' ' ' PHE . 16.2 tp -108.65 141.0 41.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 22.5 p -69.8 154.51 94.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.06 11.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -82.92 13.28 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 50.27 31.27 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.7 p -90.18 -77.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.82 149.25 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 100' ' ' LEU . 6.9 t -122.86 101.77 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.42 136.79 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.62 123.02 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -101.1 129.01 46.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 142' ' ' THR . 19.8 p-90 -121.71 142.29 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -47.95 122.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.413 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 1.1 p -130.78 172.34 12.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 52.8 p -104.1 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.7 tt -90.53 32.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -127.59 122.44 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.61 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.25 -48.0 77.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 27.1 tp60 -65.97 -36.93 84.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 44.9 m-20 -72.36 -36.63 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.07 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -63.48 -49.77 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.697 ' HG2' HD13 ' A' ' 120' ' ' LEU . 17.4 mtp -64.99 -42.47 94.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 23.9 tt0 -62.47 -40.49 96.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.75 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.37 -42.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.545 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 57.9 tp -67.17 -40.75 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -61.38 -52.02 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -61.87 -21.16 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -96.93 17.99 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.17 -56.08 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.67 -57.9 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -56.82 -44.99 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.3 mtm -56.99 -44.83 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -55.76 -45.65 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -66.25 -41.87 89.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 113' ' ' VAL . 30.2 mt -56.14 -34.7 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.873 HD22 ' HB1' ' A' ' 103' ' ' ALA . 49.0 mt -79.49 -34.26 41.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 169' ' ' SER . 8.3 mtt -46.91 -39.05 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 168' ' ' MET . 67.9 m -37.0 -50.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLN . . . . . 0.456 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -57.06 100.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 172' ' ' THR . 10.2 tp60 -53.31 -37.99 62.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 171' ' ' GLN . 19.4 p -36.39 -37.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 99' ' ' LEU . 3.4 mm? -85.21 114.83 22.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.478 ' NE ' ' HD3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -88.79 -30.75 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 174' ' ' ARG . 37.1 t30 -134.24 108.84 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.436 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 46.9 t -111.74 99.4 44.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.2 Cg_endo -69.75 170.1 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.86 29.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.534 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -92.57 130.91 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.03 118.82 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.545 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 58.9 m-85 -82.34 122.86 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.84 139.8 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.99 129.39 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.0 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -40.75 -44.82 2.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -67.84 -33.15 74.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.91 -47.98 64.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -73.0 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 129' ' ' LEU . 28.3 mt -65.59 -45.19 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -72.07 -40.93 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.56 -45.84 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -66.52 -47.06 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.76 -45.88 90.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.98 -35.73 61.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.1 mt -66.88 -49.12 66.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 96' ' ' LEU . 24.7 mt -64.0 -38.37 90.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' THR . 59.8 t80 -67.17 -40.26 86.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -74.15 -41.57 61.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.11 -42.81 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.776 HD21 HD13 ' A' ' 179' ' ' ILE . 36.7 mt -63.12 -50.18 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.88 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.67 -38.64 84.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.15 -39.48 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -71.79 -0.64 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 62.2 m -91.8 -24.3 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.23 117.24 36.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.85 3.31 2.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.09 -52.59 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.131 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.64 -56.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.68 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -92.87 66.52 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -60.32 -47.07 87.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.65 -42.13 98.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.661 HD11 HD13 ' A' ' 156' ' ' LEU . 14.0 tp -63.07 -47.64 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 65.1 t80 -53.47 -51.74 61.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -42.18 -36.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 155' ' ' VAL . 17.9 mt -71.87 -35.18 69.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 118' ' ' TYR . 26.6 t30 74.24 47.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 152' ' ' MET . 12.7 p -79.89 152.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -140.81 113.74 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.607 HD12 ' HB ' ' A' ' 105' ' ' THR . 40.4 mt -50.12 149.85 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -123.41 -40.46 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 16.5 ttpt -166.02 148.4 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 79.1 t -128.73 127.55 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -108.95 125.11 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.8 tp -110.48 141.53 43.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.3 p -69.41 155.94 92.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.28 20.71 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.86 7.79 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.656 ' CD1' HD21 ' A' ' 129' ' ' LEU . 29.1 m-85 53.91 28.97 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 31.1 t -90.29 -75.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.5 146.8 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 37.9 t -125.06 101.77 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -85.15 141.24 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.03 123.62 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -100.84 133.82 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.615 ' CZ3' HG22 ' A' ' 142' ' ' THR . 35.2 p-90 -127.42 150.68 49.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -57.64 121.24 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.615 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 82.5 p -118.13 166.29 12.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.5 p -92.64 179.18 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -93.6 35.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -138.93 121.19 15.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.02 87.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.0 -48.16 82.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.47 88.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.53 -35.98 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.8 85.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 155' ' ' VAL . 6.6 t60 -60.29 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.532 ' HG2' HD22 ' A' ' 120' ' ' LEU . 65.9 mtp -65.16 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.64 -43.12 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.24 72.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 151' ' ' HIS . 3.9 p -70.76 -39.98 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.661 HD13 HD11 ' A' ' 117' ' ' LEU . 55.0 tp -69.0 -44.38 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.16 -52.35 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -17.73 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.36 13.35 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.82 -41.86 13.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.88 -60.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -56.92 -42.86 80.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 10.4 mtm -57.23 -44.57 83.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.93 -46.15 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -66.24 -41.79 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.131 HD11 HG21 ' A' ' 113' ' ' VAL . 50.4 mt -56.45 -34.66 67.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.892 HD22 ' HB1' ' A' ' 103' ' ' ALA . 52.4 mt -80.0 -32.54 39.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 169' ' ' SER . 7.1 mtt -49.75 -39.1 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' MET . 1.5 t -36.92 -39.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -51.41 171.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.3 mt-30 -125.77 -57.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 171' ' ' GLN . 29.7 p -34.48 -55.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 1.093 HD23 HG22 ' A' ' 176' ' ' VAL . 9.4 tp -49.84 127.49 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.59 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.12 139.22 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 1.093 HG22 HD23 ' A' ' 173' ' ' LEU . 57.5 t -107.83 99.23 28.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.448 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.74 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.73 26.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.776 HD13 HD21 ' A' ' 104' ' ' LEU . 62.8 mt -91.91 127.32 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.16 115.2 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.568 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 53.6 m-85 -81.99 126.9 32.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.41 141.45 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.04 128.01 34.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.7 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.58 -48.64 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.57 -34.46 78.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -69.68 -48.01 61.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.44 -33.35 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.1 mt -65.44 -44.91 85.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -72.13 -42.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.43 -45.73 82.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.3 tt -66.64 -46.44 75.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.69 -47.98 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.07 -39.97 72.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 25.9 mt -60.12 -45.51 92.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.66 -37.89 83.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.717 ' O ' HG22 ' A' ' 105' ' ' THR . 37.1 t80 -66.47 -41.96 88.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -42.65 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.883 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.08 -42.18 76.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.44 -49.9 71.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.8 t -67.48 -25.74 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.28 -38.03 71.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.06 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.0 mp -69.78 -1.05 8.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -89.88 -30.92 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.2 114.75 50.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.3 Cg_endo -69.74 -0.8 7.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.43 -51.9 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 166' ' ' LEU . 10.3 p -91.82 -54.94 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.666 ' N ' HG13 ' A' ' 113' ' ' VAL . 35.4 p -91.87 67.22 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.16 -47.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.47 -42.24 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -60.55 -51.28 70.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 51.9 t80 -54.19 -53.15 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -44.42 -31.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 155' ' ' VAL . 15.5 mt -79.05 -32.22 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' TYR . 16.8 t30 73.57 54.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.426 HG11 HD11 ' A' ' 117' ' ' LEU . 7.5 p -88.82 153.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 122' ' ' VAL . 9.6 mp0 -143.69 126.48 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.1 mt -61.37 156.83 18.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 p -124.29 -36.06 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 27.0 ttmt -174.18 147.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 70.5 t -117.05 130.02 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.1 t -111.12 114.45 27.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.497 HD22 HD22 ' A' ' 96' ' ' LEU . 16.1 tp -109.49 141.2 42.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.9 p -69.84 154.05 95.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.55 30.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.09 0.51 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 96' ' ' LEU . 25.2 m-85 59.82 25.88 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 49.8 m -90.13 -75.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.38 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 30.1 t -126.52 101.89 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.12 141.53 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.04 124.77 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.24 133.53 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CH2' HG22 ' A' ' 142' ' ' THR . 38.6 p-90 -128.66 142.12 51.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -51.9 117.89 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CH2' ' A' ' 140' ' ' TRP . 15.9 p -111.09 174.91 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.469 HG23 ' NE2' ' A' ' 148' ' ' GLN . 38.5 p -113.14 162.44 15.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.92 36.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.9 m -132.71 114.74 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.18 -38.33 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.06 -44.56 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.3 tm0? -72.07 -40.2 68.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 8.4 m-20 -67.4 -36.0 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.63 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.04 -49.83 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 18.8 mtp -61.87 -45.79 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 19.7 tt0 -62.0 -39.41 92.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.89 93.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.575 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.67 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.5 tp -65.7 -42.58 91.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.97 -47.18 85.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -71.24 -19.73 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.1 m -95.2 17.19 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 181' ' ' PHE . . . -88.32 -56.94 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.68 -57.24 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -56.76 -45.19 82.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.32 -40.25 77.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 13.7 ttp-105 -56.59 -46.03 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -65.85 -41.98 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -56.89 -34.85 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.883 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.2 mt -76.16 -37.71 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 19.2 mtt -43.16 -28.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.9 t -46.37 -42.01 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -45.54 171.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 32.7 tt0 -125.81 -57.03 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.1 m -35.49 -58.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 175' ' ' ASN . 2.3 tt -46.53 143.51 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.624 ' N ' HD23 ' A' ' 173' ' ' LEU . 10.8 ptm180 -94.89 -49.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.691 ' O ' HD21 ' A' ' 173' ' ' LEU . 7.1 t-20 -138.72 128.82 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.664 HG22 HD13 ' A' ' 173' ' ' LEU . 52.4 t -101.74 99.4 11.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.7 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.22 25.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.336 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.817 HD13 HD21 ' A' ' 104' ' ' LEU . 62.6 mt -92.05 129.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.47 118.89 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -81.97 127.82 33.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.5 t -130.5 143.96 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -71.5 129.05 37.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 91' ' ' ALA . 10.9 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 5.9 p-10 -37.64 -43.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.7 -40.28 88.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.51 -45.68 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -72.46 -35.53 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 133' ' ' PHE . 30.8 mt -65.95 -45.17 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.08 -39.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -67.94 -44.39 76.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 96' ' ' LEU . 4.3 tt -67.94 -43.42 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.61 -46.22 73.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.98 -39.14 74.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.523 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.6 mt -62.54 -46.83 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 96' ' ' LEU . 33.4 mt -65.37 -37.73 87.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.05 -44.49 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.62 -47.15 67.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.897 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.71 -37.74 88.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 124' ' ' LEU . 30.0 mt -66.32 -49.51 66.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -70.42 -19.68 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.49 -43.22 50.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.31 -35.85 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.9 mp -73.79 -3.79 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 43.9 m -92.0 -16.94 25.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -122.17 117.92 29.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.507 ' HB3' ' CD2' ' A' ' 118' ' ' TYR . 54.4 Cg_endo -69.67 2.43 3.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -56.22 -50.89 69.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -86.56 -68.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.75 ' H ' HG13 ' A' ' 113' ' ' VAL . 3.1 m -90.79 76.49 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.1 -47.31 85.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.41 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 156' ' ' LEU . 27.7 tp -62.05 -39.09 91.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 111' ' ' PRO . 57.2 t80 -65.61 -43.77 88.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -52.88 -18.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 155' ' ' VAL . 29.4 mt -90.08 -23.36 21.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 64.87 45.79 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.44 144.07 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.48 125.7 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.8 mt -65.98 149.97 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 t -119.35 -32.57 4.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -173.79 158.05 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.92 133.24 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -110.95 113.66 26.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 133' ' ' PHE . 20.0 tp -106.41 141.18 38.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 135' ' ' ALA . 43.4 p -69.79 151.53 96.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.703 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.11 30.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -86.84 4.06 42.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 93' ' ' LEU . 3.7 m-85 57.01 25.14 10.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -75.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.44 149.33 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.6 t -123.97 101.86 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -86.52 140.11 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.46 128.32 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.19 134.84 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.686 ' CZ3' HG22 ' A' ' 142' ' ' THR . 24.5 p-90 -129.26 142.16 50.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -51.39 125.66 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.686 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 50.2 p -128.35 165.96 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.408 HG21 ' NE2' ' A' ' 148' ' ' GLN . 2.9 p -97.42 -177.49 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.38 5.85 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 107.14 19.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.14 -24.09 16.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.13 -46.73 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.408 ' NE2' HG21 ' A' ' 143' ' ' THR . 4.2 tt0 -70.35 -37.7 74.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -62.68 -40.7 97.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.66 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -64.5 -48.92 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.421 ' HG2' HD13 ' A' ' 120' ' ' LEU . 36.4 mtp -63.77 -44.58 92.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -62.21 -39.16 91.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.36 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 120' ' ' LEU . 4.8 p -71.15 -43.69 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.9 tp -66.88 -40.27 87.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -61.53 -51.46 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -66.99 -24.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.9 m -90.15 9.04 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -85.4 -48.88 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.33 -59.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -57.13 -41.33 78.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -57.0 -41.71 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -56.3 -45.86 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.17 -34.95 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.897 HD22 ' HB1' ' A' ' 103' ' ' ALA . 16.5 mt -75.53 -34.61 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.56 -32.06 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 23.0 t -41.41 -35.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.98 170.66 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.9 tt0 -118.51 -50.32 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.7 m -34.84 -58.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.551 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -53.91 122.91 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.61 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -115.19 124.46 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 49.7 t -105.03 99.56 20.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.8 169.89 17.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.252 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 134.27 27.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.684 HD13 HD21 ' A' ' 104' ' ' LEU . 63.1 mt -91.9 131.0 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.73 116.4 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.1 m-85 -82.02 128.78 34.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.1 t -125.03 142.6 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.15 128.66 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.891 0.376 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -43.26 -56.96 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.76 -39.3 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.98 97.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.46 -38.61 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 133' ' ' PHE . 41.0 mt -65.61 -45.14 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -39.96 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -47.36 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 100' ' ' LEU . 5.3 tt -65.12 -47.03 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -59.38 -48.04 83.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.82 65.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.9 mt -64.94 -47.71 76.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 96' ' ' LEU . 39.9 mt -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.867 ' O ' HG22 ' A' ' 105' ' ' THR . 44.6 t80 -65.39 -38.36 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -42.32 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.53 -39.61 77.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.632 HD21 HD13 ' A' ' 179' ' ' ILE . 27.8 mt -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.55 -28.21 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.07 -37.58 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.17 -37.57 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -72.29 1.68 7.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 90.6 m -93.3 -33.45 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.54 116.18 59.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.7 2.43 3.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.82 -52.52 60.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HD11 ' A' ' 166' ' ' LEU . 9.2 p -92.49 -56.15 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.0 p -92.6 71.13 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.99 -47.84 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.87 -42.04 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.6 tp -60.47 -46.55 89.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.33 -49.95 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -49.2 -22.23 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 155' ' ' VAL . 14.0 mt -89.81 -25.72 20.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 31.0 m120 63.67 47.35 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.469 HG13 HD23 ' A' ' 108' ' ' LEU . 3.5 p -73.29 141.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 119.27 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.86 156.83 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -122.69 -31.94 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -174.33 155.07 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.06 132.53 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -109.26 113.18 25.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 133' ' ' PHE . 12.7 tp -107.25 141.07 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 38.3 p -69.92 153.79 95.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.26 22.21 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.02 16.74 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 129' ' ' LEU . 9.3 m-85 44.52 27.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.0 t -90.36 -75.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.39 150.95 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.45 102.2 7.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.32 138.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -127.47 126.21 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.01 134.53 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CE3' ' O ' ' A' ' 141' ' ' LYS . 51.1 p-90 -135.59 142.09 45.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.553 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 31.1 mttt -38.73 131.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -134.19 138.12 44.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -90.7 167.05 12.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.1 mt -83.43 26.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.9 m -118.24 107.84 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.0 67.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.03 -45.25 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -68.69 -43.97 74.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.58 -36.65 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.12 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -60.49 -51.4 69.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 120' ' ' LEU . 11.6 mtp -65.36 -44.36 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.21 -38.59 89.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.62 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 120' ' ' LEU . 5.8 p -71.52 -41.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 59.9 tp -68.76 -40.83 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.93 -52.06 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.2 OUTLIER -68.54 -17.75 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -98.5 15.68 24.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.44 -57.73 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.71 -56.72 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -56.63 -44.11 80.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.0 mtm -58.06 -44.66 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.2 ttm105 -55.89 -45.55 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -65.51 -42.61 91.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.912 HD11 HG21 ' A' ' 113' ' ' VAL . 50.9 mt -56.08 -35.12 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.8 mt -75.41 -39.25 59.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 20.9 mtt -43.21 -34.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.0 t -40.98 -49.04 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -48.34 158.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 172' ' ' THR . 2.7 pm0 -122.52 -29.04 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 94.3 m -47.22 -58.77 3.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.775 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -54.66 177.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.625 ' N ' HD22 ' A' ' 173' ' ' LEU . 16.3 mmt180 -113.76 -69.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -122.19 133.78 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.429 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.9 t -108.02 99.67 32.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.4 Cg_endo -69.76 170.06 17.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 133.44 25.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.632 HD13 HD21 ' A' ' 104' ' ' LEU . 56.4 mt -91.92 129.08 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 84.4 t -125.19 115.85 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.544 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.6 m-85 -81.87 128.07 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 50.8 t -121.98 141.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -72.05 130.86 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.4 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' ALA . 66.8 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -40.53 -45.46 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -66.8 -32.98 74.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.71 -47.82 65.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -31.98 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.7 mt -65.53 -45.13 84.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -71.8 -41.79 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.4 tt -67.74 -45.61 74.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.61 -48.06 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.22 -40.15 71.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.28 -45.79 93.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 30.5 mt -66.47 -37.93 86.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.599 ' O ' HG22 ' A' ' 105' ' ' THR . 67.0 t80 -66.32 -42.87 87.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -70.66 -45.52 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.839 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.17 -37.69 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.87 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.28 -50.49 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -67.26 -26.8 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.59 -33.35 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 104' ' ' LEU . 7.9 mp -75.37 1.68 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -95.98 -20.07 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 m -117.55 117.39 36.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.534 0.683 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.77 -19.07 36.57 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tm-20 -37.85 -52.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.004 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.63 -56.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 53.7 p -92.67 67.01 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.17 -47.38 86.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -41.97 93.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 156' ' ' LEU . 8.5 tp -63.57 -44.81 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.528 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.0 -43.33 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.34 -34.25 60.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.1 mt -81.43 -8.76 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.7 m120 45.16 51.14 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.72 149.89 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -137.58 123.48 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.7 mt -64.57 160.31 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.1 p -132.96 -40.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 127' ' ' VAL . 0.8 OUTLIER -159.87 152.22 20.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.432 ' N ' ' HD3' ' A' ' 126' ' ' LYS . 72.4 t -126.28 129.78 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.5 t -107.59 117.75 34.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 133' ' ' PHE . 18.8 tp -109.48 141.32 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.5 p -69.53 153.57 95.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -29.2 23.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -86.5 6.44 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' HD21 ' A' ' 129' ' ' LEU . 18.4 m-85 56.06 28.22 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 42.3 t -90.2 -76.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.53 146.63 23.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.3 t -120.3 101.85 8.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.5 139.72 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.52 125.39 30.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -100.87 129.58 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 142' ' ' THR . 25.4 p-90 -125.76 142.3 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -52.21 128.52 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.574 ' CG2' ' CH2' ' A' ' 140' ' ' TRP . 1.0 OUTLIER -134.98 173.91 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.0 p -95.82 152.86 18.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.22 -10.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.4 m -89.3 121.63 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.4 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.69 -48.2 75.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -65.35 -37.34 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.66 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -61.22 -51.17 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.782 ' HG2' HD13 ' A' ' 120' ' ' LEU . 16.7 mtp -64.49 -40.84 96.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.407 ' C ' ' OE2' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.48 -40.96 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.02 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 120' ' ' LEU . 5.5 p -71.26 -43.06 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 59.2 tp -66.62 -40.18 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.03 -48.93 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -66.84 -24.21 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -93.33 16.62 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.25 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.96 -59.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -56.82 -42.18 79.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.47 -44.63 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 10.9 ttp-105 -55.78 -44.62 77.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -66.09 -41.84 90.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 113' ' ' VAL . 42.4 mt -57.22 -34.62 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.839 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.1 mt -76.57 -37.35 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.31 -35.8 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 168' ' ' MET . 74.0 m -37.88 -49.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -59.06 131.75 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 172' ' ' THR . 2.7 mp0 -84.83 -44.2 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.2 p -36.08 -53.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 176' ' ' VAL . 3.3 mp -56.85 116.62 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -68.15 -67.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.13 125.86 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.401 HG22 HD23 ' A' ' 173' ' ' LEU . 77.2 t -105.71 99.16 20.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.621 0.724 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.409 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.33 27.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.87 HD13 HD21 ' A' ' 104' ' ' LEU . 61.1 mt -91.86 130.19 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.3 114.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.96 132.04 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.29 140.66 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -71.97 129.26 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.0 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.5 pp20? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLU . 31.0 t70 -34.42 -53.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.68 -44.04 97.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -70.51 -36.31 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 19.5 mt -62.31 -45.21 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -70.03 -45.1 67.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -63.74 -35.07 79.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -70.42 -37.67 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . -75.07 -37.57 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 95' ' ' ALA . 25.6 mt -61.63 -50.01 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 21.5 mt -68.14 -38.57 82.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.765 ' O ' HG22 ' A' ' 105' ' ' THR . 57.3 t80 -66.11 -39.13 89.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -74.09 -41.41 61.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.41 -42.07 72.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 124' ' ' LEU . 33.4 mt -62.36 -50.38 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.8 t -63.64 -34.0 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.94 -41.85 99.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.82 -42.67 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -65.28 -4.91 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.69 -28.03 19.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -112.27 111.99 52.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.637 0.732 . . . . 0.0 111.098 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.77 1.57 4.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.401 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.48 -51.8 65.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 166' ' ' LEU . 10.4 p -91.8 -54.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.659 ' N ' HG13 ' A' ' 113' ' ' VAL . 55.0 p -91.6 65.74 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.08 -47.11 87.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.69 -42.01 91.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -60.86 -51.23 70.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 45.1 t80 -53.84 -50.06 67.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -43.47 -35.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 152' ' ' MET . 12.4 mt -80.7 -34.65 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.59 54.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.98 150.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.77 122.62 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.3 mt -61.49 151.2 33.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.3 p -119.4 -42.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -165.84 157.47 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.23 128.02 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 t -106.94 116.2 31.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 96' ' ' LEU . 16.4 tp -108.32 140.29 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.5 p -70.74 152.26 95.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -33.35 16.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.404 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.59 0.57 25.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 7.2 m-85 60.98 25.74 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 59.3 m -90.16 -76.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 149.63 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.42 101.93 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.88 140.03 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.06 124.48 26.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.94 133.09 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.532 ' CH2' HG22 ' A' ' 142' ' ' THR . 28.7 p-90 -127.01 144.24 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -49.66 127.49 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.8 p -132.13 168.52 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.579 HG23 ' OE1' ' A' ' 148' ' ' GLN . 82.7 p -89.93 178.48 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -90.8 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -131.3 132.99 44.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.33 75.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.37 -48.08 81.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.579 ' OE1' HG23 ' A' ' 143' ' ' THR . 0.9 OUTLIER -65.65 -45.78 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 10.0 m-20 -61.59 -35.92 79.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.09 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.82 -51.1 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 120' ' ' LEU . 12.9 mtp -65.12 -44.89 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 29.5 tt0 -62.15 -37.05 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.43 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.8 p -71.19 -41.37 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 117' ' ' LEU . 55.7 tp -69.12 -42.71 75.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.93 -52.04 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -16.88 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.5 m -99.14 9.75 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.02 -45.04 13.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.08 -60.86 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.01 -41.03 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.8 mtm -56.96 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 9.4 ttp-105 -55.93 -46.0 78.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.7 -42.09 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 113' ' ' VAL . 26.3 mt -57.3 -36.02 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 103' ' ' ALA . 31.3 mt -78.94 -28.51 43.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -35.79 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 16.1 t -38.52 -35.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -72.15 93.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.3 pp0? -47.86 -40.04 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 37.1 m -34.27 -60.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.94 128.24 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -72.25 -67.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -127.07 124.37 39.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.94 99.18 17.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.8 170.2 17.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 104' ' ' LEU . 57.0 mt -91.92 127.96 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.82 115.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 62.2 m-85 -81.78 126.62 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.12 144.05 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 77.2 mt-30 -71.03 127.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 2.9 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 91' ' ' ALA . 21.7 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 18.1 m-20 -37.44 -48.77 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -65.12 -36.96 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.26 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -72.8 -33.64 66.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 31.7 mt -65.34 -45.13 85.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -72.04 -43.39 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.5 -43.69 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.6 -46.91 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 93' ' ' LEU . 39.8 m-20 -63.23 -45.14 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.26 -36.98 55.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 173' ' ' LEU . 27.7 mt -64.87 -49.12 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 96' ' ' LEU . 29.5 mt -67.3 -37.35 83.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.581 ' O ' HG22 ' A' ' 105' ' ' THR . 43.6 t80 -64.86 -42.75 94.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -74.86 -38.88 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.785 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.47 -43.09 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 179' ' ' ILE . 35.9 mt -64.33 -50.45 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.3 t -61.22 -32.21 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 -41.0 84.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.73 -41.74 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 104' ' ' LEU . 6.1 mp -70.3 -5.87 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.04 -23.54 21.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -115.89 115.85 40.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.79 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 25.4 pt-20 -53.99 -51.7 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 114' ' ' SER . 6.5 p -91.47 -58.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.685 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.4 m -92.48 73.63 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -60.59 -46.87 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.555 ' OE1' HG21 ' A' ' 155' ' ' VAL . 2.4 tm-20 -66.21 -42.39 88.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 156' ' ' LEU . 12.5 tp -58.44 -44.92 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 60.9 t80 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -43.36 -34.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.7 -33.04 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 118' ' ' TYR . 4.1 t30 73.28 54.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 117' ' ' LEU . 2.7 p -88.6 149.29 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -139.81 126.69 20.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.82 157.55 27.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 p -131.33 -37.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 39.4 tttt -165.58 153.23 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 90.3 t -127.13 137.71 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 137' ' ' ARG . 8.1 t -116.4 111.66 20.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -104.08 141.46 36.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 135' ' ' ALA . 78.5 p -69.4 152.46 96.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.52 26.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -86.12 5.91 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 129' ' ' LEU . 12.1 m-85 55.56 26.48 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 30.1 t -90.25 -75.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.49 141.35 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.6 t -119.81 101.53 7.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' SER . 20.1 mtp180 -96.62 138.5 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.43 136.97 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.93 133.08 45.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.797 ' CZ3' HG22 ' A' ' 142' ' ' THR . 25.4 p-90 -120.93 147.0 46.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.61 119.17 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.797 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 72.7 p -123.25 170.18 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.4 p -102.27 -176.39 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 tp -91.34 35.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -133.16 123.26 25.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.28 -27.68 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.5 -47.81 82.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.2 pp0? -69.73 -38.09 76.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 17.6 m-80 -62.05 -38.85 90.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.96 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.46 -50.07 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.4 mtp -64.41 -44.39 91.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.4 tt0 -62.47 -38.75 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.74 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.555 HG21 ' OE1' ' A' ' 116' ' ' GLU . 6.8 p -71.56 -40.95 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.8 tp -69.23 -43.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.05 -52.32 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -65.64 -17.49 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.89 8.89 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.01 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -43.17 -61.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.38 -41.73 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.6 mtm -57.16 -43.73 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.9 ttp-105 -55.82 -46.01 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -63.78 -41.92 97.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -57.87 -35.47 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.785 HD22 ' HB1' ' A' ' 103' ' ' ALA . 24.3 mt -75.18 -35.29 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.3 mtt -45.93 -35.93 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 3.5 t -37.16 -48.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.27 115.97 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 172' ' ' THR . 47.9 tt0 -73.4 -40.04 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.782 HG23 HD12 ' A' ' 173' ' ' LEU . 5.3 t -33.99 -39.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 172' ' ' THR . 4.3 mp -75.77 132.31 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.82 -74.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -115.49 125.24 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.5 t -103.89 99.41 16.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.457 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.71 170.22 17.03 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.83 28.9 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.555 HD13 HD21 ' A' ' 104' ' ' LEU . 53.0 mt -91.86 130.19 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.7 115.08 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 82.3 m-85 -81.89 131.65 35.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.32 143.35 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.7 129.24 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.25 -52.58 43.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -60.48 -36.04 77.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.15 75.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -72.44 -31.85 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.2 mt -65.65 -45.06 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -71.92 -40.93 68.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.22 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -65.63 -47.05 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.0 83.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.56 -38.09 78.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.81 -49.11 74.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.2 mt -64.28 -38.27 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' O ' HG22 ' A' ' 105' ' ' THR . 66.6 t80 -66.51 -44.69 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.88 -42.93 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 179' ' ' ILE . 22.4 mt -62.05 -50.06 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.9 t -65.3 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -66.04 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 113' ' ' VAL . 32.5 mt -64.54 -37.65 88.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -71.7 -0.94 12.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.1 m -90.49 -21.86 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 120.62 28.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 111.122 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -52.49 -50.59 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.74 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -89.81 -67.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.74 ' H ' HG13 ' A' ' 113' ' ' VAL . 4.7 m -90.36 76.96 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.03 -47.48 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.33 -42.16 88.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.9 tp -60.97 -36.48 79.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 83.8 t80 -66.83 -51.09 59.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.15 -25.31 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.2 mt -81.42 -35.22 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 74.22 50.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 108' ' ' LEU . 6.5 p -83.57 153.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 122' ' ' VAL . 11.8 pt-20 -146.39 124.33 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.5 mt -59.73 145.55 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 t -115.18 -35.47 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 19.0 ttmt -163.63 146.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.469 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 66.6 t -125.66 128.06 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.2 t -107.79 119.11 38.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.6 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 36.1 p -69.81 153.52 95.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.527 0.679 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -35.17 13.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.48 4.06 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 129' ' ' LEU . 11.2 m-85 58.42 27.7 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -90.13 -75.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.08 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.33 101.99 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.89 141.41 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.12 21.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -100.96 126.92 47.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 45.4 p-90 -120.75 142.48 49.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' TRP . 16.4 mmtp -36.71 125.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 p -134.08 141.87 47.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.7 t -102.29 -179.69 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 143' ' ' THR . 8.4 tp -82.96 19.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 148' ' ' GLN . 1.1 t -102.13 110.13 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.95 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.91 -48.1 75.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.534 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -68.76 -39.8 80.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -61.96 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.77 65.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.71 -50.3 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.534 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 26.7 mtp -64.8 -45.39 86.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -62.52 -39.33 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 -44.83 92.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 120' ' ' LEU . 7.6 p -71.48 -41.18 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.54 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 61.9 tp -68.29 -41.08 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.83 -51.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -64.64 -22.51 66.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -95.61 17.17 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -54.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.22 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.75 -41.62 77.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -59.82 -44.67 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -56.0 -44.12 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.7 -42.66 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.79 -34.99 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.569 HD22 ' HB1' ' A' ' 103' ' ' ALA . 11.1 mt -74.84 -36.21 62.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.0 mtt -42.79 -32.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 19.1 t -41.49 -56.3 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 173' ' ' LEU . 42.6 mt-30 -40.98 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -123.02 -39.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 73.2 m -38.45 -55.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.8 pt? -62.69 161.47 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.47 -69.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.47 165.92 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.713 ' CG2' HD11 ' A' ' 173' ' ' LEU . 54.5 t -123.71 99.61 38.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.6 Cg_endo -69.76 169.94 17.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.72 21.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.726 HD13 HD21 ' A' ' 104' ' ' LEU . 53.4 mt -92.03 125.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.07 116.32 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.54 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 78.2 m-85 -82.15 121.68 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.5 t -119.22 143.07 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -71.19 128.01 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -163.65 173.92 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 t -116.99 -47.45 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.47 -110.05 1.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -67.06 171.04 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.2 m -78.06 -60.74 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.17 -129.02 9.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -47.76 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 39.2 pttt -87.24 -46.81 9.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 22.3 tp10 -47.59 -38.51 14.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 27.6 t0 -35.86 -58.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -65.58 -33.03 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.0 -44.2 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -71.66 -36.98 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 133' ' ' PHE . 33.4 mt -65.62 -45.04 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -72.07 -43.94 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.95 -45.76 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.19 -46.28 77.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.75 -47.27 85.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.88 -38.47 60.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 173' ' ' LEU . 22.5 mt -60.97 -48.98 79.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD12 ' CD2' ' A' ' 96' ' ' LEU . 32.4 mt -66.46 -38.11 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 105' ' ' THR . 62.0 t80 -66.54 -42.2 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.8 -41.15 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.78 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.79 -42.48 73.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 HD13 ' A' ' 179' ' ' ILE . 29.6 mt -62.53 -50.22 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.82 -30.46 71.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.65 -41.67 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.04 -34.74 79.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -75.52 3.06 10.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.4 m -92.46 -30.85 15.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.5 m -113.76 117.56 44.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.22 -52.37 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.19 -55.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.6 p -92.06 70.06 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.38 -47.54 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.66 -42.44 86.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -59.51 -50.41 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 61.7 t80 -55.47 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -44.23 -30.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 155' ' ' VAL . 13.6 mt -78.45 -32.59 48.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 118' ' ' TYR . 47.1 t30 73.23 47.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.465 HG13 HD23 ' A' ' 108' ' ' LEU . 13.2 p -80.57 152.26 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -144.58 118.11 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.95 157.66 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.2 p -128.9 -40.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 2.1 tmmm? -160.44 148.62 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.93 127.91 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.7 t -106.46 113.14 26.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.4 tp -109.06 140.52 42.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.0 p -69.86 152.72 95.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 -27.89 26.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -81.6 -1.77 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.5 m-85 62.59 25.73 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 24.2 t -90.0 -76.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.65 147.21 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.485 ' SG ' HD13 ' A' ' 100' ' ' LEU . 26.2 t -123.73 101.85 7.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.87 141.8 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.73 130.21 39.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -100.96 132.37 46.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 142' ' ' THR . 22.1 p-90 -126.29 142.92 51.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -55.02 115.09 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.546 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.2 p -106.87 165.43 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -88.96 -177.58 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.4 33.74 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -141.5 121.13 13.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.24 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -60.24 -45.62 92.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.406 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.2 -45.11 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.58 -37.52 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.62 -49.29 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.401 ' HG2' HD13 ' A' ' 120' ' ' LEU . 23.2 mtp -62.57 -44.96 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.32 -38.77 90.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.59 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 120' ' ' LEU . 5.7 p -71.18 -42.83 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 117' ' ' LEU . 26.3 tp -67.55 -40.0 84.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.68 -52.04 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.8 ptp85 -66.08 -18.2 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.4 15.13 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -53.82 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.88 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.94 -44.15 82.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.3 mtm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.8 ttp-105 -55.84 -43.89 77.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -66.02 -42.27 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -56.97 -35.07 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.78 HD22 ' HB1' ' A' ' 103' ' ' ALA . 18.0 mt -75.56 -37.66 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.5 mtt -44.21 -39.7 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 22.6 t -36.96 -46.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.32 93.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 44.7 mt-30 -53.55 -40.15 65.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 97.5 m -37.34 -41.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 99' ' ' LEU . 4.1 mm? -67.17 120.77 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -69.51 -70.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.41 120.59 34.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.8 t -102.24 99.41 12.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.4 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.22 27.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.812 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -91.97 130.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.78 118.53 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 74.9 m-85 -81.99 131.41 35.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -125.12 141.21 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -71.14 128.92 37.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.2 -55.92 21.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -86.17 38.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -46.81 97.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.432 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -49.22 94.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -118.92 107.12 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -120.8 94.69 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.64 96.06 4.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.82 46.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 192' ' ' GLU . 1.2 pp20? -104.12 39.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.8 mt -93.33 114.23 26.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.93 -51.15 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -94.37 129.81 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 37.8 mt -121.05 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.7 tp -171.95 117.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -62.75 90.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 199' ' ' VAL . 11.5 p -116.77 127.22 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.2 145.64 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.053 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.35 122.62 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.5 t -162.68 146.13 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -3.49 12.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.328 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 28.0 m -63.77 109.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.8 p -54.49 -49.09 70.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' GLY . 88.4 p 34.38 41.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -43.67 -43.0 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -126.06 7.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -133.08 110.07 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -104.55 100.82 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.44 -114.24 0.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -82.77 158.51 22.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -77.88 -44.83 25.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 9.9 pt-20 -57.23 -49.2 76.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -35.89 -48.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.86 -42.0 99.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 173' ' ' LEU . 0.1 OUTLIER -69.67 -34.43 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 20.3 mt -66.24 -44.94 82.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.19 -44.64 71.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -65.54 -43.72 89.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.1 tt -69.23 -45.35 70.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.35 -47.84 75.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.49 -37.01 92.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 95' ' ' ALA . 21.1 mt -63.95 -48.9 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.4 mt -65.28 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.542 ' O ' HG22 ' A' ' 105' ' ' THR . 38.9 t80 -65.88 -43.91 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -42.42 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.06 -38.81 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -66.0 -50.04 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 101' ' ' TYR . 15.0 t -69.99 -25.31 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -42.81 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.49 -35.14 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.1 mp -70.31 -4.48 22.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.92 -21.82 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -119.03 112.44 36.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.125 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.83 -3.45 12.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.33 -52.24 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.99 HG21 HD11 ' A' ' 166' ' ' LEU . 10.1 p -92.13 -55.12 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 84.9 p -91.96 66.19 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.24 -46.76 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 114' ' ' SER . 7.6 tp -60.79 -50.88 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 54.7 t80 -53.48 -52.89 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -40.89 -33.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.636 HD13 ' HG2' ' A' ' 152' ' ' MET . 15.6 mt -80.73 -35.27 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 118' ' ' TYR . 6.9 t30 74.45 53.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.44 149.41 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -136.7 120.61 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.422 HD12 ' HB ' ' A' ' 105' ' ' THR . 19.7 mt -61.03 158.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -128.02 -38.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.39 155.29 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.0 t -124.68 131.98 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 137' ' ' ARG . 14.5 t -110.67 111.81 23.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 133' ' ' PHE . 13.9 tp -106.73 141.43 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 23.5 p -69.54 151.68 96.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.21 32.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.99 3.06 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.53 ' CD1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 58.5 26.07 13.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 81.7 p -90.24 -76.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.43 144.81 25.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.0 t -123.28 101.61 7.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' SER . 37.6 mtp180 -96.88 140.88 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.65 135.87 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -100.81 131.86 46.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CZ3' HG22 ' A' ' 142' ' ' THR . 14.4 p-90 -121.99 142.72 50.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -54.04 120.27 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -121.3 171.99 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.437 HG21 ' NE2' ' A' ' 148' ' ' GLN . 19.2 p -101.2 177.01 5.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.48 20.94 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.5 m -118.36 126.47 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -47.81 83.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' NE2' HG21 ' A' ' 143' ' ' THR . 2.8 tt0 -70.74 -41.06 72.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.31 -36.15 83.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.16 -49.48 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.636 ' HG2' HD13 ' A' ' 120' ' ' LEU . 41.2 mtp -60.38 -44.97 95.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.38 -39.02 91.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.13 -44.74 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.412 HG11 HD11 ' A' ' 120' ' ' LEU . 6.5 p -71.4 -41.12 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 54.3 tp -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -61.38 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 0.7 OUTLIER -65.51 -17.23 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.71 9.8 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.06 -49.25 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.79 -61.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -56.76 -43.3 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.1 mtm -57.05 -41.45 78.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.8 -46.02 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.09 -42.52 89.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.99 HD11 HG21 ' A' ' 113' ' ' VAL . 30.0 mt -55.64 -34.93 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.714 HD22 ' HB1' ' A' ' 103' ' ' ALA . 10.7 mt -75.36 -41.24 56.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 167' ' ' LEU . 16.7 mtt -37.87 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 167' ' ' LEU . 66.5 m -46.74 -51.21 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -37.79 135.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.54 39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 62.5 m -120.62 -52.84 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 174' ' ' ARG . 2.4 pp -65.06 170.55 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 173' ' ' LEU . 9.1 tpt180 -90.35 -75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.51 ' O ' HD13 ' A' ' 173' ' ' LEU . 3.5 t30 -116.6 155.69 28.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 173' ' ' LEU . 46.1 t -120.0 98.63 49.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.73 170.13 17.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.55 28.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.801 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -91.87 127.2 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.17 116.02 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.571 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.0 m-85 -81.85 132.44 35.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.82 143.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.59 128.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -41.86 -63.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -84.87 150.79 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -106.17 105.29 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -67.79 94.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -105.09 123.54 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -131.92 38.27 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 190' ' ' LEU . 2.3 pt? -57.49 146.53 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -134.01 40.49 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -108.92 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 49.7 mt -95.25 137.47 34.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.28 106.08 5.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.82 107.96 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.55 150.67 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.8 tt -167.41 126.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -151.94 136.91 17.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.2 137.62 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -112.08 86.82 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -120.7 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 93.6 p -172.09 109.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -160.87 86.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 158.28 57.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 61.4 p -102.12 160.44 14.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 87.3 p -145.71 171.03 15.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -78.58 -40.94 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.6 t -89.76 95.3 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.78 99.24 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.7 p -80.86 -46.59 15.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 m -136.43 161.57 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.93 -88.22 2.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -61.49 138.96 58.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -54.96 -42.22 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.8 mm-40 -42.85 -45.73 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -39.63 -44.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -63.2 -38.54 91.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.83 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -72.27 -32.75 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.3 mt -66.04 -45.15 82.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -72.2 -44.3 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.08 -48.02 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -64.8 -46.65 81.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.66 -48.11 82.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.73 -34.89 62.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.9 mt -66.24 -46.93 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.5 mt -66.79 -38.17 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 105' ' ' THR . 32.1 t80 -66.91 -42.81 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -72.07 -42.85 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.746 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.78 -40.93 75.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HD13 ' A' ' 179' ' ' ILE . 39.7 mt -63.05 -50.04 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 101' ' ' TYR . 6.7 t -67.61 -27.29 66.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.99 -41.13 82.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.51 -33.42 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -72.62 -0.47 13.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.1 m -91.63 -27.96 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.23 113.79 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.6 -51.65 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 166' ' ' LEU . 10.6 p -91.65 -54.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.663 ' N ' HG13 ' A' ' 113' ' ' VAL . 28.5 p -91.78 65.09 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.01 -47.29 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 155' ' ' VAL . 0.6 OUTLIER -66.19 -42.13 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 156' ' ' LEU . 11.4 tp -61.66 -46.66 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 40.9 t80 -56.93 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -45.36 -36.16 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 155' ' ' VAL . 15.3 mt -78.42 -29.5 47.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 t30 67.18 52.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 117' ' ' LEU . 7.3 p -78.89 147.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -130.87 117.86 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.22 148.74 49.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.2 t -114.65 -41.74 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -168.71 159.85 10.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.5 t -123.41 129.33 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.7 t -108.03 114.93 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.2 tp -110.53 141.17 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.2 p -69.86 153.51 95.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.12 31.22 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.92 0.59 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.587 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.4 m-85 59.92 24.94 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.2 t -90.16 -75.15 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.39 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.47 101.87 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -87.75 141.04 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.96 126.51 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -101.35 131.52 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' HG22 ' A' ' 142' ' ' THR . 39.5 p-90 -125.53 148.48 48.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -56.36 122.81 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.561 HG22 ' CH2' ' A' ' 140' ' ' TRP . 68.8 p -122.99 173.18 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.1 p -98.37 175.67 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -88.13 36.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 m -137.03 131.86 33.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.0 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.77 -45.4 94.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.492 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.46 -40.54 85.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.1 -38.72 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.02 -46.61 86.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -60.74 -49.83 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.798 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 38.3 mtp -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -62.48 -38.34 89.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.9 83.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.43 -41.07 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 117' ' ' LEU . 49.5 tp -68.37 -45.77 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -59.11 -51.28 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 159' ' ' SER . 3.3 ptp180 -58.31 -32.92 68.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -88.54 18.3 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.1 -47.5 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -57.25 -42.03 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.4 mtm -58.58 -40.91 84.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -55.47 -46.22 76.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.38 -41.95 88.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 113' ' ' VAL . 40.8 mt -55.29 -34.92 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.746 HD22 ' HB1' ' A' ' 103' ' ' ALA . 12.3 mt -80.26 -33.8 37.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.2 mmt -49.0 -24.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.6 m -50.77 -42.89 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -45.25 163.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 172' ' ' THR . 14.4 pt20 -121.14 -37.98 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 171' ' ' GLN . 35.7 m -36.99 -72.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 1.052 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -51.42 170.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -110.44 -36.08 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' CD ' ' A' ' 174' ' ' ARG . 9.4 p-10 -139.52 150.28 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 173' ' ' LEU . 37.8 t -117.26 99.13 52.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 111.185 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.69 168.51 21.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.28 23.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.687 HD13 HD21 ' A' ' 104' ' ' LEU . 61.0 mt -91.93 122.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.1 115.85 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 56.9 m-85 -81.99 124.28 29.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 88.9 t -123.93 138.09 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.53 127.96 34.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -89.13 -58.56 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 67.53 -83.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -131.89 112.9 12.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -107.97 -46.99 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -98.55 87.11 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.0 165.63 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -92.37 169.95 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.29 42.03 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' ' 193' ' ' LEU . 0.4 OUTLIER -48.69 133.12 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -127.59 137.14 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -85.73 115.8 23.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.8 mt -115.98 162.63 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.4 pp -113.63 176.12 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -162.89 175.03 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 36.0 m -123.5 159.37 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -165.93 155.0 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.78 155.63 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 46.5 t -153.47 150.44 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -167.56 85.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 96.1 p -150.03 175.72 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 p -163.04 168.61 20.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t -171.24 172.6 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 m -157.43 135.91 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -105.13 88.34 0.58 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.2 m -93.43 95.85 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 m -128.95 137.63 51.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.78 -142.74 14.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 153.72 25.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.15 -46.03 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.7 mm-40 -41.29 -47.3 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' GLU . 28.5 m-20 -36.96 -48.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.05 -39.05 93.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -67.32 -47.12 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -70.97 -32.47 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 28.6 mt -65.61 -45.1 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.08 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.43 -45.93 78.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -67.59 -47.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.38 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -36.69 68.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 173' ' ' LEU . 20.9 mt -63.81 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 96' ' ' LEU . 26.1 mt -64.46 -38.32 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.79 ' O ' HG22 ' A' ' 105' ' ' THR . 61.0 t80 -65.41 -42.83 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -39.57 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.908 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.39 -42.89 74.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 179' ' ' ILE . 22.3 mt -62.98 -50.34 71.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 101' ' ' TYR . 4.9 t -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.9 -38.18 82.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.64 -36.04 75.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -75.78 5.57 6.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.3 m -96.57 -28.57 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -112.17 115.78 49.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.73 3.15 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -58.14 -51.99 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.047 HG21 HD11 ' A' ' 166' ' ' LEU . 10.5 p -91.86 -54.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.665 ' N ' HG13 ' A' ' 113' ' ' VAL . 76.9 p -91.89 64.86 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.51 -46.61 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG3' ' CG2' ' A' ' 155' ' ' VAL . 0.1 OUTLIER -65.25 -39.71 93.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 9.1 tp -64.44 -51.11 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 38.3 t80 -52.83 -49.67 65.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -41.67 -30.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.578 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -87.5 -32.7 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 118' ' ' TYR . 7.1 t-20 71.91 54.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.4 p -79.54 151.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -137.23 125.09 22.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 104' ' ' LEU . 29.5 mt -61.57 156.5 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.4 p -128.31 -39.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 21.3 ttpt -167.75 150.56 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 48.2 t -124.89 126.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -108.98 118.23 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 133' ' ' PHE . 12.4 tp -110.36 141.1 43.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -69.82 153.94 95.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.701 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.46 31.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.26 3.11 53.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CD1' HD21 ' A' ' 129' ' ' LEU . 21.7 m-85 58.56 28.15 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.4 m -90.36 -76.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.83 151.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.9 t -129.63 101.76 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.63 141.15 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.4 124.67 26.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.405 ' HB3' ' CG ' ' A' ' 184' ' ' ASP . 95.7 m-85 -100.65 132.48 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.571 ' CH2' HG22 ' A' ' 142' ' ' THR . 18.8 p-90 -123.6 160.24 27.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.33 119.76 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.571 HG22 ' CH2' ' A' ' 140' ' ' TRP . 18.7 p -113.86 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.0 p -89.52 -177.93 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 tp -80.62 -23.94 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.5 m -90.11 130.32 36.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.36 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.98 -48.02 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 14.7 tm0? -61.34 -38.24 86.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.86 -37.17 86.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.53 -47.69 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.01 -50.98 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.578 ' HG2' HD13 ' A' ' 120' ' ' LEU . 8.5 mtp -65.11 -42.92 93.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 116' ' ' GLU . 5.4 p -71.3 -41.76 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.9 tp -66.97 -44.77 79.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.99 -50.68 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -62.5 -28.54 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -86.58 18.26 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.91 -46.32 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.36 -60.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -56.97 -41.34 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.3 mtt -56.86 -47.86 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.81 -45.99 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.59 -42.82 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.047 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -55.62 -36.93 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.908 HD22 ' HB1' ' A' ' 103' ' ' ALA . 42.5 mt -72.84 -40.75 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 169' ' ' SER . 22.0 mtt -40.78 -39.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 168' ' ' MET . 4.9 t -37.24 -43.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -51.72 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 172' ' ' THR . 29.9 tp60 -128.73 -56.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.0 p -37.08 -35.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 99' ' ' LEU . 4.0 mp -70.87 135.75 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.57 -73.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.95 137.96 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 83.9 t -116.25 99.4 52.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.668 0.747 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.3 Cg_endo -69.79 170.08 17.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 131.39 21.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 104' ' ' LEU . 60.8 mt -91.87 125.06 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.42 116.77 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.575 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.84 124.76 29.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.78 143.77 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.72 133.88 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.405 ' CG ' ' HB3' ' A' ' 139' ' ' TYR . 3.9 m-20 -75.36 49.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -124.96 127.44 47.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -76.86 51.09 3.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -112.6 97.53 6.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -104.34 99.84 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -102.54 82.3 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.2 tp -112.98 41.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -89.69 35.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -115.34 96.96 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 64.4 mt -90.16 151.41 21.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -121.36 115.54 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -99.63 120.56 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.91 135.02 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 6.4 tp -157.56 120.3 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -156.8 116.99 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 91.1 t -139.96 136.89 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -173.47 117.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -82.32 87.76 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.6 t -122.87 139.89 53.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -152.83 76.1 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 165.25 31.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 2.4 m -159.59 110.9 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -92.63 85.89 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -92.25 109.56 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 p -69.59 114.81 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -167.41 -116.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.5 p -54.12 100.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 t -136.1 122.5 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.43 -38.11 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -58.03 171.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -52.19 -47.49 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.1 mt-10 -38.52 -49.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -38.68 -51.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.56 -36.63 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.72 -47.9 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.32 -34.3 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -64.04 -44.82 91.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -70.76 -43.09 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.57 -41.33 88.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.2 tt -69.37 -45.75 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.16 -46.03 82.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.03 -41.4 71.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.499 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.4 mt -60.27 -46.96 88.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 mt -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.02 -44.72 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' THR . 16.5 tppt? -69.74 -46.62 65.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.24 -37.66 88.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 124' ' ' LEU . 25.1 mt -65.87 -50.09 65.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 102' ' ' LYS . 8.9 t -62.91 -28.15 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.28 -46.11 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.32 -32.71 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -76.68 -1.0 25.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 96.2 m -95.1 -17.34 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' OE1' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -117.79 113.61 37.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.145 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.8 -2.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.612 ' OE1' HG21 ' A' ' 110' ' ' THR . 28.5 mt-10 -54.89 -51.78 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.816 HG21 HD11 ' A' ' 166' ' ' LEU . 9.9 p -92.06 -55.27 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.671 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -92.14 65.47 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.76 -47.15 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.671 HD11 HG11 ' A' ' 122' ' ' VAL . 15.0 tp -62.91 -51.35 67.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 46.6 t80 -51.65 -48.21 63.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -23.08 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD13 ' HG2' ' A' ' 152' ' ' MET . 43.7 mt -90.21 -34.58 15.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.9 44.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -72.35 157.68 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.505 ' N ' HG22 ' A' ' 122' ' ' VAL . 29.0 mt-10 -144.42 122.91 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.3 mt -63.03 145.51 55.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.3 p -114.12 -36.17 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -173.89 155.79 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.61 132.69 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -112.83 118.29 34.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 133' ' ' PHE . 15.3 tp -110.93 141.2 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.474 HG23 ' NH1' ' A' ' 137' ' ' ARG . 1.6 p -69.71 156.16 92.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.55 29.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.73 4.36 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.679 ' CD1' HD21 ' A' ' 129' ' ' LEU . 7.5 m-85 54.98 25.5 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 17.3 t -90.06 -75.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.04 151.66 21.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.7 t -131.15 101.92 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.474 ' NH1' HG23 ' A' ' 130' ' ' THR . 0.2 OUTLIER -85.52 141.73 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -130.76 125.64 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -100.93 131.31 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 142' ' ' THR . 33.3 p-90 -125.07 142.79 51.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -41.59 124.1 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 140' ' ' TRP . 11.5 p -134.9 -176.38 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.1 t -137.79 177.0 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 143' ' ' THR . 13.6 tp -77.01 5.91 7.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -91.27 103.97 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.68 -48.0 78.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -69.52 -36.98 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -68.52 -38.09 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.64 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -67.45 -47.92 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 37.8 mtp -64.42 -42.56 95.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.12 98.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.93 92.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.47 -40.72 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.6 tp -66.05 -42.69 89.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -62.18 -51.96 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -63.52 -14.09 47.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 18.1 m -103.98 6.27 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.7 -49.1 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.91 -59.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -56.86 -43.18 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.9 mtm -57.74 -43.05 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -55.96 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -63.99 -44.99 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.816 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -55.53 -34.92 65.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.6 mt -73.87 -39.03 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.5 mtt -41.98 -40.07 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 8.2 t -38.77 -53.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 167' ' ' LEU . 4.7 mp0 -54.25 93.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.6 pt20 -54.72 -39.44 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 171' ' ' GLN . 10.5 t -34.73 -40.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.499 ' HG ' HD13 ' A' ' 99' ' ' LEU . 9.2 mt -78.79 118.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -62.18 -69.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 175' ' ' ASN . 1.0 OUTLIER -119.9 131.87 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.8 t -109.59 99.41 37.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.0 Cg_endo -69.77 170.0 17.6 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 134.32 27.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.638 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -92.79 135.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.25 117.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -82.08 126.38 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.27 143.92 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.05 131.85 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.94 -53.97 52.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -97.54 106.6 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -91.48 37.51 3.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -44.45 129.74 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.42 101.74 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -129.53 53.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 tt -91.0 65.87 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -131.46 78.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -112.2 98.95 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 40.7 mt -100.7 37.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -123.66 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -128.71 102.59 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' ' 197' ' ' LEU . 9.3 tt -132.19 144.31 50.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 196' ' ' LEU . 14.9 tp -70.57 110.67 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -155.69 118.24 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.57 103.57 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -77.26 -46.11 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -119.38 155.38 32.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 69.8 m -40.53 -59.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 77.03 146.29 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 94.3 p -70.07 -43.67 70.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.4 m -54.99 -59.95 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 m -136.38 141.73 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 p -173.64 109.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.92 -154.94 14.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -82.17 142.0 32.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -61.04 141.52 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.02 -49.24 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -60.63 141.66 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.26 -40.52 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.9 mm-40 -39.82 -43.23 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.82 -45.3 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -65.39 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.57 -47.17 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 13.7 ttm105 -71.39 -29.02 64.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 HD23 ' A' ' 129' ' ' LEU . 24.7 mt -65.46 -44.9 85.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -71.91 -44.35 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.67 -46.52 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.2 tt -66.09 -46.96 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.4 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.58 62.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.669 HD13 ' CB ' ' A' ' 173' ' ' LEU . 21.5 mt -62.46 -49.34 75.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 96' ' ' LEU . 35.7 mt -67.05 -39.72 86.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -66.75 -42.49 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.7 -41.15 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.945 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.25 -42.77 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 179' ' ' ILE . 24.2 mt -63.3 -50.49 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -65.04 -28.13 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.39 -35.0 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.69 -34.66 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -74.67 1.57 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.43 -34.04 15.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m -108.68 117.0 55.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.2 2.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.232 . . . . 0.0 112.354 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.67 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.62 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 25.6 p -92.61 68.52 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -60.17 -47.46 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.77 -41.97 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 14.3 tp -62.27 -40.81 97.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 63.1 t80 -61.66 -51.79 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -45.39 -33.01 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 117' ' ' LEU . 10.6 mt -76.72 -30.81 56.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' TYR . 65.0 t30 68.41 44.57 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.48 147.45 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -135.03 123.53 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.0 mt -50.57 153.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -120.34 -40.89 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 24.7 ttmt -170.36 147.43 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.471 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 96.3 t -121.45 126.53 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.8 t -109.08 119.01 38.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.6 tp -109.51 139.59 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.1 p -70.04 154.24 94.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -24.1 30.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.42 4.85 37.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD1' HD21 ' A' ' 129' ' ' LEU . 8.6 m-85 54.51 25.07 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.41 ' O ' ' HD2' ' A' ' 178' ' ' PRO . 0.9 OUTLIER -90.85 -73.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.73 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.39 148.4 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 100' ' ' LEU . 29.5 t -126.55 102.55 7.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.92 140.76 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.69 120.62 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -100.99 127.38 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.493 ' CH2' HG22 ' A' ' 142' ' ' THR . 26.0 p-90 -120.1 155.99 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -58.41 122.09 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.493 HG22 ' CH2' ' A' ' 140' ' ' TRP . 44.0 p -123.1 158.59 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.9 p -89.66 171.76 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.5 tp -85.85 35.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.3 m -137.17 122.74 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.14 96.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.87 -47.42 85.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.57 -43.07 90.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.31 -35.9 80.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.57 -49.84 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 19.8 mtp -64.43 -45.0 89.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.0 -36.9 82.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.36 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.29 -40.87 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 181' ' ' PHE . 40.8 tp -69.35 -44.34 71.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.1 -52.13 65.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.9 ppt_? -64.01 -14.25 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.7 m -103.35 18.1 22.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.96 -50.55 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -59.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -56.81 -42.92 80.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 3.9 mtm -56.92 -46.31 82.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -55.85 -45.02 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.39 -42.42 92.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 113' ' ' VAL . 46.9 mt -55.78 -37.04 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.945 HD22 ' HB1' ' A' ' 103' ' ' ALA . 56.3 mt -74.27 -38.11 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.8 mtt -45.83 -30.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.7 t -40.33 -46.82 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -78.1 138.69 38.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 36.8 mm-40 -101.34 -32.71 10.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 57.5 m -37.29 -52.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.669 ' CB ' HD13 ' A' ' 99' ' ' LEU . 4.4 pp -60.25 171.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 175' ' ' ASN . 21.5 mmt180 -103.98 -174.65 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 174' ' ' ARG . 8.8 t30 -34.1 127.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.487 HG22 HD13 ' A' ' 173' ' ' LEU . 58.2 t -102.32 98.92 11.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.07 17.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.79 132.84 24.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.625 HD13 HD21 ' A' ' 104' ' ' LEU . 61.7 mt -91.93 130.78 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 42.5 t -122.35 116.42 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.576 ' CD1' HD21 ' A' ' 156' ' ' LEU . 68.6 m-85 -82.0 121.17 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.73 143.99 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 47.9 mt-30 -71.22 128.46 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 0.4 OUTLIER -35.94 -54.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 72.04 -66.15 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -139.2 164.42 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -114.8 151.15 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -105.47 83.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.37 139.96 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -126.25 86.33 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -127.43 89.69 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.671 HD23 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -121.38 85.0 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.78 102.33 14.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -130.31 132.21 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 10.3 tt -130.23 133.94 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 2.1 tt -139.61 109.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -136.07 114.29 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.93 100.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -102.05 95.18 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.65 149.05 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.6 m -158.53 171.26 20.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 165.07 138.04 2.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.35 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 8.5 t -73.65 -53.11 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.9 t -53.86 124.34 15.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.9 p -101.65 155.12 18.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 p -168.68 109.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.53 57.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -101.47 86.71 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -172.14 119.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.67 -140.95 31.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -62.08 -38.32 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -47.07 -42.29 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -43.75 -39.74 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -43.19 -43.43 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -67.98 -38.25 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.2 -47.76 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -71.9 -37.32 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.69 -45.24 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -72.24 -41.69 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.36 -48.9 68.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.4 tt -63.92 -47.05 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.3 -36.08 83.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.408 HD22 ' OE1' ' A' ' 170' ' ' GLN . 22.1 mt -64.06 -45.9 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 136' ' ' CYS . 36.8 mt -66.65 -36.14 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.693 ' O ' HG22 ' A' ' 105' ' ' THR . 57.5 t80 -66.61 -41.47 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.93 -42.92 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.98 -40.57 75.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 HD13 ' A' ' 179' ' ' ILE . 35.3 mt -63.46 -50.11 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 101' ' ' TYR . 10.2 t -66.72 -28.24 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.63 -40.84 84.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.94 -38.42 91.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -70.16 -2.18 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 70.3 m -89.71 -26.9 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 114.5 42.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.517 0.675 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.75 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.76 -52.07 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 166' ' ' LEU . 7.4 p -91.94 -58.42 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 37.3 m -92.73 69.13 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.5 -47.03 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.38 -42.31 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 7.6 tp -59.59 -51.19 70.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 47.0 t80 -52.03 -49.54 63.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.72 -40.33 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' HG2' ' A' ' 152' ' ' MET . 14.7 mt -77.15 -26.38 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' TYR . 11.2 m120 62.43 54.49 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 117' ' ' LEU . 7.4 p -80.12 150.59 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -134.3 123.75 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 105' ' ' THR . 27.4 mt -63.64 157.86 22.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 t -127.68 -40.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -164.12 159.02 19.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.72 127.44 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -103.21 113.3 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.0 tp -107.68 140.98 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 p -69.98 151.26 96.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -26.1 27.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.3 6.25 37.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.585 ' CD1' HD13 ' A' ' 96' ' ' LEU . 27.3 m-85 56.64 27.56 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.0 t -90.13 -76.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 153.49 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 14.3 t -129.58 102.42 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.37 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.6 127.14 36.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.95 134.78 43.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.694 ' CZ3' HG22 ' A' ' 142' ' ' THR . 39.8 p-90 -130.42 142.24 50.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.694 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 81.2 p -124.2 170.33 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.451 HG23 ' NE2' ' A' ' 148' ' ' GLN . 65.1 p -97.66 170.41 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.476 HD12 ' HD2' ' A' ' 185' ' ' LYS . 10.6 tp -86.85 34.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 m -132.73 117.98 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.57 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.23 -45.8 83.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.6 tm0? -69.27 -46.02 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -60.17 -38.33 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.08 64.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -61.8 -50.48 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.718 ' HG2' HD13 ' A' ' 120' ' ' LEU . 15.7 mtp -62.93 -45.84 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -62.1 -37.32 84.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.14 90.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 120' ' ' LEU . 4.1 p -70.9 -40.78 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 61.4 tp -69.13 -45.25 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.14 -52.16 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.3 ppt_? -64.31 -17.24 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.7 m -101.38 13.69 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.79 -47.95 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -62.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -56.95 -42.78 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.7 mtm -57.37 -40.05 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -55.9 -45.4 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -66.07 -41.81 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 113' ' ' VAL . 46.1 mt -57.06 -34.63 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' A' ' 103' ' ' ALA . 28.9 mt -79.07 -32.99 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.3 mmt -50.42 -34.82 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.7 t -40.54 -44.46 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLN . . . . . 0.408 ' OE1' HD22 ' A' ' 99' ' ' LEU . 29.3 mt-30 -51.66 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -85.82 44.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 55.1 m -115.47 -64.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 1.002 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -52.98 177.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -94.11 -69.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -126.15 142.69 51.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 173' ' ' LEU . 46.2 t -105.18 99.22 18.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.7 169.96 17.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.0 24.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.81 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -91.93 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.27 115.14 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.8 m-85 -82.07 129.6 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.15 137.59 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -75.37 128.18 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.0 -62.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.476 ' HD2' HD12 ' A' ' 144' ' ' LEU . 21.8 mmtm -41.65 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 39.76 78.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -91.08 138.96 31.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -122.17 87.18 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -100.98 88.69 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 33.9 mt -51.31 137.05 23.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -124.73 40.99 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -124.22 43.88 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 28.6 mt -86.81 119.43 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -110.66 110.82 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -102.87 78.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.15 91.14 4.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.5 tt -174.48 125.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -146.87 131.35 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.7 138.57 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -173.5 119.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -103.32 161.7 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 3.1 t -168.85 148.09 4.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 168.34 60.23 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -176.94 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 15.5 t -171.42 172.27 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 57.9 m 45.49 47.01 11.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.6 m -137.12 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -86.84 124.07 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.9 115.88 0.5 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.4 p -107.07 81.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.8 p -133.99 179.57 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.25 68.86 0.87 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.01 175.04 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -35.1 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.6 mt-10 -52.96 -47.69 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -36.88 -52.63 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.1 -36.47 84.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.27 -48.07 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -32.42 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 133' ' ' PHE . 24.6 mt -64.81 -45.02 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.28 -44.28 72.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.76 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.0 tt -67.6 -40.87 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.96 -47.77 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.28 -39.52 71.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 136' ' ' CYS . 28.9 mt -64.88 -40.99 95.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.707 ' O ' HG22 ' A' ' 105' ' ' THR . 59.4 t80 -66.05 -40.97 91.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -73.02 -41.14 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.799 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.22 -41.68 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 179' ' ' ILE . 25.1 mt -64.13 -50.3 68.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.7 t -63.76 -32.24 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -39.81 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.77 -37.54 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -71.27 -1.82 14.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 65.0 m -90.24 -27.21 19.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.26 111.32 64.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.81 4.7 2.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -51.7 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.082 HG21 HD11 ' A' ' 166' ' ' LEU . 10.7 p -91.54 -54.63 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.662 ' N ' HG13 ' A' ' 113' ' ' VAL . 11.2 p -91.75 52.58 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.64 -47.35 82.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.64 -42.24 99.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.557 HD11 HG11 ' A' ' 122' ' ' VAL . 25.9 tp -69.03 -36.69 78.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 39.0 t80 -60.22 -44.0 95.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.65 -28.21 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 155' ' ' VAL . 30.0 mt -83.42 -16.71 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.0 t30 52.95 54.77 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 117' ' ' LEU . 8.8 p -85.7 147.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.2 117.83 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.92 144.13 29.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -111.18 -41.45 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 139' ' ' TYR . 13.4 pttp -166.32 160.08 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -128.56 128.71 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.7 t -109.76 113.21 25.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.536 HD22 HD22 ' A' ' 96' ' ' LEU . 19.1 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 p -69.73 153.24 95.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.73 23.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.67 -0.77 44.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' HD13 ' A' ' 96' ' ' LEU . 16.0 m-85 62.46 28.53 16.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -90.28 -77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.94 148.73 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 100' ' ' LEU . 5.6 t -123.61 101.79 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.81 138.95 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.87 123.0 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' HB2' ' CG ' ' A' ' 126' ' ' LYS . 5.8 m-85 -100.95 124.08 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.628 ' O ' HG23 ' A' ' 142' ' ' THR . 42.7 p-90 -121.54 143.26 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.508 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -37.42 134.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 140' ' ' TRP . 25.8 p -141.48 140.92 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.431 HG22 ' NE2' ' A' ' 148' ' ' GLN . 2.8 t -96.88 175.96 6.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.4 tt -84.01 23.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.11 98.36 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.18 -32.6 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.81 -46.14 86.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.431 ' NE2' HG22 ' A' ' 143' ' ' THR . 28.1 tt0 -71.57 -39.76 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 93.9 m-20 -65.86 -41.0 92.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.36 -49.77 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -67.59 -48.99 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 35.8 mtp -62.45 -44.17 97.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.8 tt0 -62.37 -40.05 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.69 92.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 120' ' ' LEU . 6.4 p -71.45 -41.75 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.3 tp -67.83 -41.22 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -61.79 -51.17 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -63.64 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -81.99 15.78 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.06 -54.3 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.87 -58.67 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -56.89 -44.31 82.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.7 mtm -57.38 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.83 -44.06 77.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -64.92 -42.24 94.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.082 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -58.13 -34.99 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.799 HD22 ' HB1' ' A' ' 103' ' ' ALA . 21.2 mt -76.33 -33.74 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 25.7 mtt -51.64 -33.58 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 22.5 m -40.69 -43.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.28 97.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.5 mp0 -57.27 -35.53 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.0 m -35.42 -54.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.45 127.68 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.61 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -127.46 131.98 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 80.4 t -110.95 99.36 42.41 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.7 Cg_endo -69.73 170.04 17.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 133.76 26.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.734 2.29 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 104' ' ' LEU . 63.9 mt -91.93 124.1 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.18 117.22 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.574 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 69.3 m-85 -81.9 132.57 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.73 142.45 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.88 127.93 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -38.4 -40.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -126.6 -49.02 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 79.46 -63.58 3.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.539 ' HB2' HD11 ' A' ' 190' ' ' LEU . 15.8 p-10 -125.15 83.35 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -91.74 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -121.82 80.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 187' ' ' ASN . 77.9 mt -85.26 40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -138.47 172.4 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.01 85.12 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 47.9 mt -79.34 94.01 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -122.41 108.07 12.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.672 ' C ' HD22 ' A' ' 196' ' ' LEU . 14.9 tt0 -112.1 119.9 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 195' ' ' GLN . 4.3 mm? -128.14 97.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 4.8 tt -161.78 123.15 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -173.8 128.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.09 170.37 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.06 153.75 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.89 174.0 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 78.2 p -111.52 140.17 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 103.72 65.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.18 8.44 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 206' ' ' SER . 8.8 t -140.32 141.44 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 205' ' ' SER . 97.5 p 35.82 42.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m -58.83 143.35 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 m -110.99 152.06 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -96.21 -153.83 30.01 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -119.1 -45.4 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 t 49.68 42.35 23.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.51 -73.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -67.44 105.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -78.75 -38.12 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -39.64 -30.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.75 -46.45 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -67.77 -40.22 84.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.89 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -72.62 -33.07 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.88 -44.55 89.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -71.46 -43.1 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.53 -44.28 82.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -65.8 -46.7 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.2 -47.41 86.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.88 60.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 23.2 mt -63.35 -50.07 71.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -67.95 -40.35 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.675 ' O ' HG22 ' A' ' 105' ' ' THR . 44.4 t80 -66.16 -42.61 88.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -72.87 -41.1 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.915 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.81 -41.97 74.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.072 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.721 HD21 HD13 ' A' ' 179' ' ' ILE . 23.4 mt -62.28 -50.32 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.4 t -64.6 -31.2 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.96 -35.56 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.37 -36.43 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -73.1 0.61 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.87 -25.26 21.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -117.81 116.12 36.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 111.177 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.72 3.52 2.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' H ' ' A' ' 114' ' ' SER . 6.3 p -91.94 -58.69 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 68.0 m -92.37 69.59 5.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -60.45 -46.5 89.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.33 -42.42 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 11.8 tp -60.38 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 57.7 t80 -56.09 -50.53 70.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.92 -40.9 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -76.05 -28.77 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 118' ' ' TYR . 2.9 t-20 64.62 54.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.9 150.25 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.44 121.47 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.8 146.51 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.4 t -111.75 -43.99 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -167.39 158.59 11.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.9 t -125.44 134.81 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' ARG . 7.6 p -112.89 118.75 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 96' ' ' LEU . 15.9 tp -110.55 141.45 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.4 p -69.57 152.82 96.16 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -25.88 28.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.17 2.25 40.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 58.1 25.73 12.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.9 t -90.27 -76.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.78 149.15 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.57 ' SG ' HD13 ' A' ' 100' ' ' LEU . 18.7 t -126.87 101.6 6.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 128' ' ' SER . 1.6 mpt_? -90.59 141.35 28.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.98 128.59 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.93 132.06 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.51 ' CH2' HG22 ' A' ' 142' ' ' THR . 32.6 p-90 -129.01 148.61 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -54.86 126.21 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.51 HG22 ' CH2' ' A' ' 140' ' ' TRP . 39.1 p -123.87 159.72 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.518 HG23 ' NE2' ' A' ' 148' ' ' GLN . 68.4 p -91.16 172.71 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.51 36.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -134.25 122.33 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.58 -44.32 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.518 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.2 tm0? -69.52 -44.9 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.0 -50.03 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -61.66 -50.38 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.557 ' HG2' HD13 ' A' ' 120' ' ' LEU . 28.1 mtp -61.82 -45.54 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.48 86.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 120' ' ' LEU . 5.4 p -71.08 -41.14 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 62.9 tp -69.28 -45.69 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.11 -52.28 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -16.16 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.2 m -101.67 17.07 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.53 -47.75 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.04 -44.22 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 178' ' ' PRO . 18.7 ttm180 -55.79 -45.9 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.86 -42.34 90.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 113' ' ' VAL . 35.3 mt -56.06 -34.87 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.915 HD22 ' HB1' ' A' ' 103' ' ' ALA . 51.0 mt -77.63 -36.36 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.48 -36.82 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 168' ' ' MET . 11.2 t -37.68 -44.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.4 OUTLIER -53.42 160.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.9 mp0 -116.24 -43.62 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.2 p -34.12 -64.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.658 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -49.54 163.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -106.57 -59.2 1.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -130.25 131.3 45.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 29.6 t -105.32 99.68 21.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.77 170.09 17.39 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.444 ' HA ' ' NE ' ' A' ' 164' ' ' ARG . 53.7 Cg_endo -69.79 133.84 26.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.721 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -92.06 128.93 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 63.2 t -125.89 115.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 84.9 m-85 -82.02 134.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 72.0 t -128.46 136.93 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -73.86 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.86 97.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.5 100.67 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -44.83 -66.47 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -138.97 152.24 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -105.45 130.87 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -123.72 91.52 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -136.3 156.52 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -95.83 159.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.18 44.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 14.0 mt -125.23 131.94 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -136.69 110.19 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -116.32 173.55 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 196' ' ' LEU . 2.4 pt? -126.46 146.33 50.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.37 116.6 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -110.16 41.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.32 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -165.21 118.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -130.61 169.44 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.1 m -90.79 108.61 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -73.96 132.91 16.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.38 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 3.3 m -60.61 128.73 38.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.8 t -156.67 107.23 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.527 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.6 t -124.58 134.15 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 p -86.93 169.74 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.16 -155.66 19.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -133.76 154.14 51.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.5 p -80.25 -49.55 11.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.89 -86.24 0.42 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -56.15 161.05 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -89.82 -44.86 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.9 mp0 -56.26 -42.48 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.523 ' OD2' HD11 ' A' ' 93' ' ' LEU . 4.5 t70 -41.11 -43.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -65.29 -34.82 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.3 -47.74 66.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -72.98 -32.41 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' OD2' ' A' ' 89' ' ' ASP . 30.8 mt -65.68 -45.05 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -72.04 -42.36 66.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.92 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 129' ' ' LEU . 5.4 tt -67.31 -47.06 71.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -47.03 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.54 59.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.597 HD13 ' HG ' ' A' ' 173' ' ' LEU . 22.4 mt -57.06 -49.42 75.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -65.12 -37.68 88.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -65.79 -45.0 84.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.24 -43.39 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.87 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 124' ' ' LEU . 31.0 mt -67.78 -50.02 59.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 101' ' ' TYR . 13.1 t -67.78 -23.21 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.27 -41.14 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.15 -35.1 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -72.85 1.57 8.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.8 m -97.38 -10.84 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 113.1 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.169 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.756 2.304 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -57.26 -51.44 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 166' ' ' LEU . 6.9 p -91.18 -58.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.673 ' H ' HG13 ' A' ' 113' ' ' VAL . 55.4 m -92.46 69.9 5.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.98 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -64.29 -41.7 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 156' ' ' LEU . 13.8 tp -61.66 -51.17 69.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 42.8 t80 -52.98 -47.33 68.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -23.25 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 155' ' ' VAL . 13.9 mt -90.12 -22.43 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.9 m120 62.11 54.42 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.96 145.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.05 116.9 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.2 mt -50.93 159.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -130.71 -36.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -166.28 152.82 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.5 t -127.36 127.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 t -111.25 116.17 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 96' ' ' LEU . 21.8 tp -108.93 141.33 41.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 69.5 p -69.59 152.2 96.34 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.49 23.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.279 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -81.64 1.7 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 92' ' ' ARG . 8.9 m-85 59.75 26.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 4.8 m -90.2 -76.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.32 21.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 100' ' ' LEU . 11.6 t -126.42 101.82 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.14 140.3 31.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.99 122.62 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -100.99 130.43 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.568 ' CZ3' HG22 ' A' ' 142' ' ' THR . 12.0 p-90 -122.75 159.26 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -66.69 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.568 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 62.8 p -120.88 172.28 8.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.581 HG23 ' NE2' ' A' ' 148' ' ' GLN . 77.6 p -102.18 175.48 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -87.94 30.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -127.98 128.74 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.02 87.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -61.81 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.581 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.4 tm0? -68.47 -37.19 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.0 -38.04 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.98 -50.02 63.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -65.34 -50.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.482 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 48.1 mtp -59.04 -46.21 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.53 -36.82 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.79 77.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 120' ' ' LEU . 7.1 p -71.25 -42.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.541 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 49.9 tp -68.98 -40.04 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.17 -52.06 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.3 ptp85 -65.62 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -95.09 8.36 43.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.06 -47.56 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.62 -60.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -57.49 -43.09 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.1 mtm -57.0 -42.32 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -56.0 -44.77 78.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -65.9 -42.05 90.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 113' ' ' VAL . 52.4 mt -57.19 -34.67 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.87 HD22 ' HB1' ' A' ' 103' ' ' ALA . 17.2 mt -75.07 -39.72 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' SER . 3.8 mtt -43.46 -35.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' MET . 33.1 t -37.83 -50.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -59.69 127.44 32.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -86.58 -28.3 23.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 19.9 p -49.21 -19.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.597 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -95.05 129.12 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -76.04 -69.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.32 128.64 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.435 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 48.2 t -108.2 99.42 31.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.443 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.9 Cg_endo -69.73 170.09 17.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.517 HD13 HD21 ' A' ' 104' ' ' LEU . 61.5 mt -91.98 136.09 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.42 117.9 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 64.1 m-85 -82.15 131.24 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.69 142.04 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.52 128.87 37.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -39.19 -44.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -76.7 153.85 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.92 100.89 2.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.96 115.26 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -84.97 138.13 32.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -111.58 39.26 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 190' ' ' LEU . 4.4 pp -84.84 20.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -93.78 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -111.89 95.58 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.74 157.13 28.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -113.89 129.66 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.95 115.76 30.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 21.7 tp -104.29 87.36 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.6 pp -157.85 151.83 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.75 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.25 170.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.42 139.51 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.69 120.32 41.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 49.1 m -147.43 158.12 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 129.86 -168.05 21.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -23.12 31.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.63 2.22 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 9.1 m -39.36 150.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.3 m -133.16 -52.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.8 m 43.59 42.18 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 t -74.38 -51.56 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.62 172.52 41.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t 62.9 41.87 8.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -98.14 103.79 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ARG . . . -97.76 115.11 5.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' GLY . 98.8 mtt180 -34.69 121.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -87.89 -40.13 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.1 pp20? -62.27 -51.08 69.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -38.84 -49.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -65.61 -38.86 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.5 -46.02 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -69.2 -32.27 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.9 mt -64.68 -45.15 87.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -72.09 -44.86 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.95 74.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -63.64 -46.37 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.26 -47.99 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.03 -35.81 79.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.21 -48.28 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 96' ' ' LEU . 39.7 mt -66.55 -39.76 88.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 105' ' ' THR . 54.8 t80 -66.17 -42.57 88.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -70.65 -42.26 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.95 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.31 -40.12 74.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -63.04 -50.49 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.0 -32.46 74.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.22 -36.66 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD13 ' HG2' ' A' ' 163' ' ' MET . 21.8 mt -68.59 -38.88 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 4.1 mp -71.94 1.22 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 78.9 m -90.99 -27.69 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -115.91 118.65 38.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.73 -51.66 37.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 166' ' ' LEU . 5.8 p -91.53 -59.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.684 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.2 m -92.69 69.3 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -59.05 -46.93 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.72 -42.02 91.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 156' ' ' LEU . 14.2 tp -62.48 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 78.2 t80 -60.32 -46.33 90.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.7 -28.73 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 155' ' ' VAL . 17.7 mt -83.3 -21.75 33.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.62 36.44 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.6 145.95 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.7 124.63 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.1 149.55 47.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 t -115.96 -40.39 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 159.56 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -126.58 130.67 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -110.08 116.05 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.3 tp -108.67 141.2 40.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.4 p -69.66 154.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.712 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.21 14.95 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 129' ' ' LEU . 20.0 m-85 47.18 30.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -90.36 -76.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.61 150.33 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.4 t -123.29 101.69 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -85.83 138.69 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.22 123.38 28.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -101.01 129.63 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 142' ' ' THR . 13.2 p-90 -119.57 143.89 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -49.77 119.56 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 140' ' ' TRP . 34.9 p -124.96 163.62 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.7 p -102.49 -178.93 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -87.03 36.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 m -134.22 121.92 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.47 -28.22 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.38 -48.03 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.4 pp0? -70.72 -37.5 73.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 15.3 m-80 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.8 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.11 -50.63 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.62 -44.07 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 26.4 tt0 -62.6 -38.97 92.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.76 86.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.45 -41.77 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 117' ' ' LEU . 54.3 tp -67.96 -43.54 78.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -60.03 -50.32 74.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 159' ' ' SER . 2.7 ptp180 -60.41 -30.14 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -89.81 17.3 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.01 -45.69 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -57.11 -42.5 80.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' MET . . . . . 0.443 ' HG2' HD13 ' A' ' 107' ' ' LEU . 5.0 mtm -56.97 -43.96 82.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -56.32 -46.11 80.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -66.08 -42.82 88.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.712 HD11 HG21 ' A' ' 113' ' ' VAL . 36.9 mt -55.63 -34.92 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.95 HD22 ' HB1' ' A' ' 103' ' ' ALA . 14.1 mt -75.85 -39.79 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 14.2 mtt -40.94 -31.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 t -39.79 -52.15 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -43.99 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 172' ' ' THR . 13.6 mm100 -124.45 -47.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 171' ' ' GLN . 45.8 p -36.86 -47.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.1 pt? -64.24 156.85 27.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -88.9 -72.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -122.03 163.41 19.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 173' ' ' LEU . 61.6 t -124.65 99.47 35.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.78 169.83 18.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.71 23.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.512 HD13 HD21 ' A' ' 104' ' ' LEU . 54.0 mt -91.92 126.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 55.9 t -124.34 115.85 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.8 m-85 -81.88 124.45 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 73.6 t -121.35 144.09 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.83 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -38.66 -41.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -88.12 149.68 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -54.91 -107.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -138.4 128.36 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.3 107.54 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -99.68 85.14 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 10.1 tp -136.0 155.91 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -132.48 173.5 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -106.87 89.18 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -87.64 41.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -69.2 100.54 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -124.59 -51.39 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.66 104.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.22 143.66 47.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -131.53 89.43 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.83 132.74 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -158.81 141.98 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.05 172.56 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 1.3 t -175.0 121.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -170.64 126.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 14.9 t -79.02 153.06 30.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 76.3 p -132.09 84.71 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 t -164.49 148.46 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.5 t -81.79 -52.91 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.66 147.33 4.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.1 p -157.39 123.2 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -72.73 103.84 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.01 -88.9 0.95 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 173.31 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -19.4 31.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 18.7 mm-40 -81.7 -42.94 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -41.27 -46.23 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.52 -37.35 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.73 -46.93 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.478 ' HD3' ' NE ' ' A' ' 174' ' ' ARG . 1.5 tpm_? -70.71 -32.52 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -65.18 -45.08 86.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -72.05 -44.85 62.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.14 92.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.9 tt -66.14 -47.12 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -59.5 -48.28 82.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -40.56 67.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 173' ' ' LEU . 28.5 mt -60.67 -45.67 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 96' ' ' LEU . 25.0 mt -66.52 -38.34 86.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.609 ' O ' HG22 ' A' ' 105' ' ' THR . 80.6 t80 -66.23 -44.08 84.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -73.35 -40.56 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.873 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.78 -42.64 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 179' ' ' ILE . 57.5 mt -64.9 -49.94 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.2 t -63.99 -28.4 69.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.5 -42.51 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.66 -35.84 81.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.2 mp -75.4 -1.32 23.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -93.33 -18.81 22.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 112' ' ' GLU . 3.0 m -122.15 117.63 29.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 110' ' ' THR . 3.9 mm-40 -53.54 -53.4 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 166' ' ' LEU . 8.1 p -93.46 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -93.46 69.55 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.67 -46.58 89.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.45 -42.4 95.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 122' ' ' VAL . 20.9 tp -63.33 -40.65 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 82.8 t80 -61.0 -45.98 92.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.88 -33.72 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 152' ' ' MET . 10.9 mt -79.38 -24.43 42.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 61.48 53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -80.74 147.93 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -134.94 117.04 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.6 mt -55.97 159.86 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.7 p -129.21 -38.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -165.37 154.49 12.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.89 126.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -106.89 115.62 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 133' ' ' PHE . 16.2 tp -108.65 141.0 41.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 22.5 p -69.8 154.51 94.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.06 11.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -82.92 13.28 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 50.27 31.27 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.7 p -90.18 -77.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.82 149.25 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 100' ' ' LEU . 6.9 t -122.86 101.77 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.42 136.79 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.62 123.02 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -101.1 129.01 46.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 142' ' ' THR . 19.8 p-90 -121.71 142.29 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -47.95 122.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.413 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 1.1 p -130.78 172.34 12.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 52.8 p -104.1 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.7 tt -90.53 32.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -127.59 122.44 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.61 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.25 -48.0 77.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 27.1 tp60 -65.97 -36.93 84.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 44.9 m-20 -72.36 -36.63 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.07 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -63.48 -49.77 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.697 ' HG2' HD13 ' A' ' 120' ' ' LEU . 17.4 mtp -64.99 -42.47 94.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 23.9 tt0 -62.47 -40.49 96.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.75 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.37 -42.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 57.9 tp -67.17 -40.75 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -61.38 -52.02 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -61.87 -21.16 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -96.93 17.99 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.17 -56.08 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.67 -57.9 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -56.82 -44.99 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.3 mtm -56.99 -44.83 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -55.76 -45.65 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -66.25 -41.87 89.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 113' ' ' VAL . 30.2 mt -56.14 -34.7 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.873 HD22 ' HB1' ' A' ' 103' ' ' ALA . 49.0 mt -79.49 -34.26 41.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 169' ' ' SER . 8.3 mtt -46.91 -39.05 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 168' ' ' MET . 67.9 m -37.0 -50.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLN . . . . . 0.456 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -57.06 100.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 172' ' ' THR . 10.2 tp60 -53.31 -37.99 62.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 171' ' ' GLN . 19.4 p -36.39 -37.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 99' ' ' LEU . 3.4 mm? -85.21 114.83 22.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.478 ' NE ' ' HD3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -88.79 -30.75 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 174' ' ' ARG . 37.1 t30 -134.24 108.84 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.436 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 46.9 t -111.74 99.4 44.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.2 Cg_endo -69.75 170.1 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.86 29.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.534 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -92.57 130.91 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.03 118.82 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.545 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 58.9 m-85 -82.34 122.86 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.84 139.8 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.99 129.39 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -41.33 -39.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.1 157.58 25.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -63.21 -117.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -138.58 147.7 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -48.86 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -121.35 86.48 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.2 mp -48.83 122.98 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -125.21 137.94 54.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.66 76.15 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -83.94 43.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -91.65 86.97 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -113.94 156.52 23.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.91 129.79 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.91 115.79 4.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -131.01 94.21 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.55 138.19 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -150.82 164.6 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -139.53 128.21 23.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 52.8 p -151.18 114.31 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -153.02 154.0 25.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.77 2.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 22.2 m -133.48 -44.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 5.4 m -134.04 156.95 47.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 m -87.47 129.27 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 t -52.97 -44.17 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.15 -44.37 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.2 m -133.83 159.71 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -88.36 149.9 23.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.89 -153.34 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -52.58 157.33 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -73.0 -33.7 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.0 mp0 -70.84 -42.3 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -40.75 -44.82 2.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -67.84 -33.15 74.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.91 -47.98 64.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -73.0 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 129' ' ' LEU . 28.3 mt -65.59 -45.19 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -72.07 -40.93 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.56 -45.84 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -66.52 -47.06 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.76 -45.88 90.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.98 -35.73 61.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.1 mt -66.88 -49.12 66.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 96' ' ' LEU . 24.7 mt -64.0 -38.37 90.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' THR . 59.8 t80 -67.17 -40.26 86.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -74.15 -41.57 61.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.11 -42.81 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.776 HD21 HD13 ' A' ' 179' ' ' ILE . 36.7 mt -63.12 -50.18 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.88 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.67 -38.64 84.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.15 -39.48 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -71.79 -0.64 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 62.2 m -91.8 -24.3 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.23 117.24 36.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.85 3.31 2.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.09 -52.59 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.131 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.64 -56.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.68 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -92.87 66.52 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -60.32 -47.07 87.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.65 -42.13 98.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.661 HD11 HD13 ' A' ' 156' ' ' LEU . 14.0 tp -63.07 -47.64 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 65.1 t80 -53.47 -51.74 61.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -42.18 -36.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 155' ' ' VAL . 17.9 mt -71.87 -35.18 69.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 118' ' ' TYR . 26.6 t30 74.24 47.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 152' ' ' MET . 12.7 p -79.89 152.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -140.81 113.74 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.607 HD12 ' HB ' ' A' ' 105' ' ' THR . 40.4 mt -50.12 149.85 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -123.41 -40.46 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 16.5 ttpt -166.02 148.4 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 79.1 t -128.73 127.55 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -108.95 125.11 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.8 tp -110.48 141.53 43.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.3 p -69.41 155.94 92.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.28 20.71 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.86 7.79 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.656 ' CD1' HD21 ' A' ' 129' ' ' LEU . 29.1 m-85 53.91 28.97 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 31.1 t -90.29 -75.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.5 146.8 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 37.9 t -125.06 101.77 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -85.15 141.24 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.03 123.62 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -100.84 133.82 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.615 ' CZ3' HG22 ' A' ' 142' ' ' THR . 35.2 p-90 -127.42 150.68 49.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -57.64 121.24 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.615 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 82.5 p -118.13 166.29 12.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.5 p -92.64 179.18 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -93.6 35.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -138.93 121.19 15.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.02 87.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.0 -48.16 82.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.47 88.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.53 -35.98 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.8 85.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 155' ' ' VAL . 6.6 t60 -60.29 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.532 ' HG2' HD22 ' A' ' 120' ' ' LEU . 65.9 mtp -65.16 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.64 -43.12 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.24 72.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 151' ' ' HIS . 3.9 p -70.76 -39.98 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.661 HD13 HD11 ' A' ' 117' ' ' LEU . 55.0 tp -69.0 -44.38 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.16 -52.35 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -17.73 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.36 13.35 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.82 -41.86 13.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.88 -60.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -56.92 -42.86 80.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 10.4 mtm -57.23 -44.57 83.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.93 -46.15 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -66.24 -41.79 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.131 HD11 HG21 ' A' ' 113' ' ' VAL . 50.4 mt -56.45 -34.66 67.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.892 HD22 ' HB1' ' A' ' 103' ' ' ALA . 52.4 mt -80.0 -32.54 39.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 169' ' ' SER . 7.1 mtt -49.75 -39.1 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' MET . 1.5 t -36.92 -39.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -51.41 171.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.3 mt-30 -125.77 -57.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 171' ' ' GLN . 29.7 p -34.48 -55.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 1.093 HD23 HG22 ' A' ' 176' ' ' VAL . 9.4 tp -49.84 127.49 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.59 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.12 139.22 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 1.093 HG22 HD23 ' A' ' 173' ' ' LEU . 57.5 t -107.83 99.23 28.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.448 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.74 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.73 26.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.776 HD13 HD21 ' A' ' 104' ' ' LEU . 62.8 mt -91.91 127.32 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.16 115.2 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.568 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 53.6 m-85 -81.99 126.9 32.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.41 141.45 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.04 128.01 34.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -43.59 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 162.41 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -100.99 98.2 1.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.96 106.62 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -70.04 107.82 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -92.74 44.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.87 86.37 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -111.05 89.95 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.86 90.93 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.675 HD23 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -111.94 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.9 123.45 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -132.51 127.16 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.6 pp -100.38 158.31 15.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 197' ' ' LEU . 4.2 pp -174.75 170.65 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -138.87 137.52 36.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.14 139.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -146.98 109.04 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -121.64 125.86 47.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 7.2 m -139.97 160.51 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -119.74 123.19 5.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.53 35.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.389 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 31.3 t -159.1 125.47 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.8 t -85.68 -57.58 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -117.48 -58.72 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -53.1 120.07 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.97 -173.6 25.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -45.43 147.48 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.7 p -47.39 119.88 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' ARG . . . -178.56 -67.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' GLY . 87.0 mtt180 -35.47 136.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -64.58 -42.75 95.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.7 mm-40 -46.18 -47.49 17.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.58 -48.64 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.57 -34.46 78.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -69.68 -48.01 61.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.44 -33.35 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.1 mt -65.44 -44.91 85.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -72.13 -42.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.43 -45.73 82.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.3 tt -66.64 -46.44 75.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.69 -47.98 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.07 -39.97 72.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 25.9 mt -60.12 -45.51 92.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.66 -37.89 83.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.717 ' O ' HG22 ' A' ' 105' ' ' THR . 37.1 t80 -66.47 -41.96 88.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -42.65 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.883 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.08 -42.18 76.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.44 -49.9 71.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.8 t -67.48 -25.74 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.28 -38.03 71.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.06 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.0 mp -69.78 -1.05 8.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -89.88 -30.92 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.2 114.75 50.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.3 Cg_endo -69.74 -0.8 7.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.43 -51.9 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 166' ' ' LEU . 10.3 p -91.82 -54.94 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.666 ' N ' HG13 ' A' ' 113' ' ' VAL . 35.4 p -91.87 67.22 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.16 -47.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.47 -42.24 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -60.55 -51.28 70.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 51.9 t80 -54.19 -53.15 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -44.42 -31.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 155' ' ' VAL . 15.5 mt -79.05 -32.22 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' TYR . 16.8 t30 73.57 54.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.426 HG11 HD11 ' A' ' 117' ' ' LEU . 7.5 p -88.82 153.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 122' ' ' VAL . 9.6 mp0 -143.69 126.48 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.1 mt -61.37 156.83 18.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 p -124.29 -36.06 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 27.0 ttmt -174.18 147.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 70.5 t -117.05 130.02 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.1 t -111.12 114.45 27.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.497 HD22 HD22 ' A' ' 96' ' ' LEU . 16.1 tp -109.49 141.2 42.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.9 p -69.84 154.05 95.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.55 30.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.09 0.51 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 96' ' ' LEU . 25.2 m-85 59.82 25.88 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 49.8 m -90.13 -75.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.38 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 30.1 t -126.52 101.89 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.12 141.53 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.04 124.77 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.24 133.53 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CH2' HG22 ' A' ' 142' ' ' THR . 38.6 p-90 -128.66 142.12 51.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -51.9 117.89 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CH2' ' A' ' 140' ' ' TRP . 15.9 p -111.09 174.91 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.469 HG23 ' NE2' ' A' ' 148' ' ' GLN . 38.5 p -113.14 162.44 15.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.92 36.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.9 m -132.71 114.74 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.18 -38.33 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.06 -44.56 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.3 tm0? -72.07 -40.2 68.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 8.4 m-20 -67.4 -36.0 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.63 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -67.04 -49.83 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 18.8 mtp -61.87 -45.79 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 19.7 tt0 -62.0 -39.41 92.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.89 93.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.575 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.67 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.5 tp -65.7 -42.58 91.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.97 -47.18 85.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -71.24 -19.73 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.1 m -95.2 17.19 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 181' ' ' PHE . . . -88.32 -56.94 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.68 -57.24 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -56.76 -45.19 82.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.32 -40.25 77.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 13.7 ttp-105 -56.59 -46.03 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -65.85 -41.98 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -56.89 -34.85 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.883 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.2 mt -76.16 -37.71 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 19.2 mtt -43.16 -28.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.9 t -46.37 -42.01 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -45.54 171.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 32.7 tt0 -125.81 -57.03 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.1 m -35.49 -58.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 175' ' ' ASN . 2.3 tt -46.53 143.51 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.624 ' N ' HD23 ' A' ' 173' ' ' LEU . 10.8 ptm180 -94.89 -49.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.691 ' O ' HD21 ' A' ' 173' ' ' LEU . 7.1 t-20 -138.72 128.82 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.664 HG22 HD13 ' A' ' 173' ' ' LEU . 52.4 t -101.74 99.4 11.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.7 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.22 25.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.336 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.817 HD13 HD21 ' A' ' 104' ' ' LEU . 62.6 mt -92.05 129.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.47 118.89 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -81.97 127.82 33.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.5 t -130.5 143.96 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -71.5 129.05 37.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.04 -57.04 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -91.24 174.29 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -137.79 110.26 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.95 96.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -91.51 101.85 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -115.43 92.58 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.32 109.72 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -75.17 137.75 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -87.17 81.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.634 ' H ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -87.0 42.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.06 104.44 7.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 195' ' ' GLN . 0.0 OUTLIER -127.97 105.24 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 196' ' ' LEU . 2.5 mm? -112.91 93.39 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.3 mt -143.96 148.66 35.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -158.14 113.15 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.16 115.7 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -139.44 111.25 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -133.52 118.62 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 6.2 t -107.47 126.87 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -178.6 82.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 120.72 7.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 64.3 p -99.92 133.39 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.3 t -90.42 -60.9 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' SER . 74.2 m -119.19 -44.91 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 80' ' ' SER . 5.4 t -35.35 -56.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.98 -50.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -146.19 139.19 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -58.4 146.18 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.48 82.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -60.02 -177.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -39.03 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 91' ' ' ALA . 10.9 pt-20 -50.7 -48.09 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 5.9 p-10 -37.64 -43.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.7 -40.28 88.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.51 -45.68 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -72.46 -35.53 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 133' ' ' PHE . 30.8 mt -65.95 -45.17 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.08 -39.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -67.94 -44.39 76.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 96' ' ' LEU . 4.3 tt -67.94 -43.42 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.61 -46.22 73.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.98 -39.14 74.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.523 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.6 mt -62.54 -46.83 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 96' ' ' LEU . 33.4 mt -65.37 -37.73 87.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.05 -44.49 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.62 -47.15 67.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.897 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.71 -37.74 88.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 124' ' ' LEU . 30.0 mt -66.32 -49.51 66.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -70.42 -19.68 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.49 -43.22 50.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.31 -35.85 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.9 mp -73.79 -3.79 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 43.9 m -92.0 -16.94 25.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -122.17 117.92 29.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.507 ' HB3' ' CD2' ' A' ' 118' ' ' TYR . 54.4 Cg_endo -69.67 2.43 3.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -56.22 -50.89 69.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -86.56 -68.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.75 ' H ' HG13 ' A' ' 113' ' ' VAL . 3.1 m -90.79 76.49 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.1 -47.31 85.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.41 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 156' ' ' LEU . 27.7 tp -62.05 -39.09 91.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 111' ' ' PRO . 57.2 t80 -65.61 -43.77 88.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -52.88 -18.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 155' ' ' VAL . 29.4 mt -90.08 -23.36 21.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 64.87 45.79 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.44 144.07 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.48 125.7 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.8 mt -65.98 149.97 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 t -119.35 -32.57 4.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -173.79 158.05 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.92 133.24 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -110.95 113.66 26.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 133' ' ' PHE . 20.0 tp -106.41 141.18 38.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 135' ' ' ALA . 43.4 p -69.79 151.53 96.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.703 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.11 30.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -86.84 4.06 42.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 93' ' ' LEU . 3.7 m-85 57.01 25.14 10.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -75.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.44 149.33 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.6 t -123.97 101.86 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -86.52 140.11 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.46 128.32 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.19 134.84 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.686 ' CZ3' HG22 ' A' ' 142' ' ' THR . 24.5 p-90 -129.26 142.16 50.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -51.39 125.66 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.686 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 50.2 p -128.35 165.96 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.408 HG21 ' NE2' ' A' ' 148' ' ' GLN . 2.9 p -97.42 -177.49 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.38 5.85 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 107.14 19.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.14 -24.09 16.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.13 -46.73 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.408 ' NE2' HG21 ' A' ' 143' ' ' THR . 4.2 tt0 -70.35 -37.7 74.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -62.68 -40.7 97.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.66 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -64.5 -48.92 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.421 ' HG2' HD13 ' A' ' 120' ' ' LEU . 36.4 mtp -63.77 -44.58 92.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -62.21 -39.16 91.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.36 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 120' ' ' LEU . 4.8 p -71.15 -43.69 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.9 tp -66.88 -40.27 87.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -61.53 -51.46 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -66.99 -24.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.9 m -90.15 9.04 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -85.4 -48.88 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.33 -59.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -57.13 -41.33 78.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -57.0 -41.71 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -56.3 -45.86 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.17 -34.95 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.897 HD22 ' HB1' ' A' ' 103' ' ' ALA . 16.5 mt -75.53 -34.61 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.56 -32.06 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 23.0 t -41.41 -35.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.98 170.66 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.9 tt0 -118.51 -50.32 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.7 m -34.84 -58.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.551 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -53.91 122.91 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.61 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -115.19 124.46 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 49.7 t -105.03 99.56 20.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.8 169.89 17.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.252 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 134.27 27.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.684 HD13 HD21 ' A' ' 104' ' ' LEU . 63.1 mt -91.9 131.0 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.73 116.4 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.1 m-85 -82.02 128.78 34.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.1 t -125.03 142.6 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.15 128.66 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.81 -60.55 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -121.15 128.81 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.75 75.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -46.68 118.86 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -119.56 138.37 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -123.98 41.41 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.09 81.49 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -113.81 167.09 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.54 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 193' ' ' LEU . 0.4 OUTLIER -79.38 135.6 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ASP . . . . . 0.43 ' N ' HD12 ' A' ' 193' ' ' LEU . 2.8 m-20 -133.72 161.16 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -123.01 114.63 20.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.43 145.2 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.9 pp -144.95 162.14 37.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -159.85 121.28 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.27 121.7 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -133.25 89.11 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.97 -45.25 13.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 7.9 t 59.66 42.01 17.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -146.36 70.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 104.49 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 25.8 t -98.59 156.33 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.9 p -152.95 169.06 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.3 p -93.88 117.86 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -122.0 159.47 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' SER . . . -73.19 70.24 1.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.5 t -38.16 133.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -85.42 102.47 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 126.71 -43.67 1.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -47.7 126.12 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.8 tptt -65.16 -55.66 17.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . 13.2 pt-20 -36.68 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -43.26 -56.96 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.76 -39.3 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.98 97.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.46 -38.61 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 133' ' ' PHE . 41.0 mt -65.61 -45.14 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -39.96 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -47.36 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 100' ' ' LEU . 5.3 tt -65.12 -47.03 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -59.38 -48.04 83.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.82 65.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.9 mt -64.94 -47.71 76.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 96' ' ' LEU . 39.9 mt -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.867 ' O ' HG22 ' A' ' 105' ' ' THR . 44.6 t80 -65.39 -38.36 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -42.32 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.53 -39.61 77.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.632 HD21 HD13 ' A' ' 179' ' ' ILE . 27.8 mt -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.55 -28.21 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.07 -37.58 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.17 -37.57 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -72.29 1.68 7.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 90.6 m -93.3 -33.45 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.54 116.18 59.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.7 2.43 3.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.82 -52.52 60.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HD11 ' A' ' 166' ' ' LEU . 9.2 p -92.49 -56.15 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.0 p -92.6 71.13 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.99 -47.84 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.87 -42.04 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.6 tp -60.47 -46.55 89.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.33 -49.95 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -49.2 -22.23 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 155' ' ' VAL . 14.0 mt -89.81 -25.72 20.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 31.0 m120 63.67 47.35 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.469 HG13 HD23 ' A' ' 108' ' ' LEU . 3.5 p -73.29 141.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 119.27 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.86 156.83 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -122.69 -31.94 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -174.33 155.07 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.06 132.53 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -109.26 113.18 25.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 133' ' ' PHE . 12.7 tp -107.25 141.07 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 38.3 p -69.92 153.79 95.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.26 22.21 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.02 16.74 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 129' ' ' LEU . 9.3 m-85 44.52 27.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.0 t -90.36 -75.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.39 150.95 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.45 102.2 7.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.32 138.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -127.47 126.21 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.01 134.53 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CE3' ' O ' ' A' ' 141' ' ' LYS . 51.1 p-90 -135.59 142.09 45.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.553 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 31.1 mttt -38.73 131.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -134.19 138.12 44.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -90.7 167.05 12.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.1 mt -83.43 26.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.9 m -118.24 107.84 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.0 67.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.03 -45.25 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -68.69 -43.97 74.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.58 -36.65 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.12 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -60.49 -51.4 69.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 120' ' ' LEU . 11.6 mtp -65.36 -44.36 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.21 -38.59 89.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.62 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 120' ' ' LEU . 5.8 p -71.52 -41.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 59.9 tp -68.76 -40.83 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.93 -52.06 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.2 OUTLIER -68.54 -17.75 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -98.5 15.68 24.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.44 -57.73 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.71 -56.72 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -56.63 -44.11 80.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.0 mtm -58.06 -44.66 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.2 ttm105 -55.89 -45.55 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -65.51 -42.61 91.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.912 HD11 HG21 ' A' ' 113' ' ' VAL . 50.9 mt -56.08 -35.12 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.8 mt -75.41 -39.25 59.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 20.9 mtt -43.21 -34.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.0 t -40.98 -49.04 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -48.34 158.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 172' ' ' THR . 2.7 pm0 -122.52 -29.04 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 94.3 m -47.22 -58.77 3.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.775 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -54.66 177.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.625 ' N ' HD22 ' A' ' 173' ' ' LEU . 16.3 mmt180 -113.76 -69.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -122.19 133.78 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.429 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.9 t -108.02 99.67 32.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.4 Cg_endo -69.76 170.06 17.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 133.44 25.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.632 HD13 HD21 ' A' ' 104' ' ' LEU . 56.4 mt -91.92 129.08 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 84.4 t -125.19 115.85 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.544 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.6 m-85 -81.87 128.07 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 50.8 t -121.98 141.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -72.05 130.86 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.4 t70 -77.77 46.86 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -110.92 -53.33 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 101.13 -39.16 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -43.21 117.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -102.11 101.88 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -89.23 41.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 22.2 mt -132.21 112.94 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -121.04 168.75 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -84.41 46.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -85.64 41.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -124.21 80.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -122.68 -43.29 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.65 138.97 56.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 15.2 tp -126.02 97.58 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -91.8 54.34 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 78.9 t -131.34 90.17 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -114.02 80.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 23.7 m -148.38 170.12 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 138.59 75.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 111.34 2.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 31.5 m -103.91 121.31 42.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.4 p -172.76 144.33 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 t -81.86 126.96 32.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.916 0.389 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.5 p -149.45 122.69 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.13 112.46 1.99 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 t -94.84 -45.67 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -103.74 145.67 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 128.17 147.73 6.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -43.97 136.78 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -60.77 -43.92 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' ALA . 66.8 mm-40 -41.69 -46.93 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -40.53 -45.46 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -66.8 -32.98 74.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.71 -47.82 65.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -31.98 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.7 mt -65.53 -45.13 84.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -71.8 -41.79 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.4 tt -67.74 -45.61 74.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.61 -48.06 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.22 -40.15 71.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.28 -45.79 93.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 30.5 mt -66.47 -37.93 86.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.599 ' O ' HG22 ' A' ' 105' ' ' THR . 67.0 t80 -66.32 -42.87 87.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -70.66 -45.52 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.839 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.17 -37.69 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.87 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.28 -50.49 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -67.26 -26.8 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.59 -33.35 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 104' ' ' LEU . 7.9 mp -75.37 1.68 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -95.98 -20.07 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 m -117.55 117.39 36.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.534 0.683 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.77 -19.07 36.57 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tm-20 -37.85 -52.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.004 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.63 -56.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 53.7 p -92.67 67.01 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.17 -47.38 86.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -41.97 93.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 156' ' ' LEU . 8.5 tp -63.57 -44.81 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.528 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.0 -43.33 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.34 -34.25 60.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.1 mt -81.43 -8.76 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.7 m120 45.16 51.14 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.72 149.89 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -137.58 123.48 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.7 mt -64.57 160.31 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.1 p -132.96 -40.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 127' ' ' VAL . 0.8 OUTLIER -159.87 152.22 20.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.432 ' N ' ' HD3' ' A' ' 126' ' ' LYS . 72.4 t -126.28 129.78 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.5 t -107.59 117.75 34.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 133' ' ' PHE . 18.8 tp -109.48 141.32 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.5 p -69.53 153.57 95.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -29.2 23.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -86.5 6.44 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' HD21 ' A' ' 129' ' ' LEU . 18.4 m-85 56.06 28.22 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 42.3 t -90.2 -76.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.53 146.63 23.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.3 t -120.3 101.85 8.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.5 139.72 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.52 125.39 30.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -100.87 129.58 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 142' ' ' THR . 25.4 p-90 -125.76 142.3 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -52.21 128.52 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.574 ' CG2' ' CH2' ' A' ' 140' ' ' TRP . 1.0 OUTLIER -134.98 173.91 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.0 p -95.82 152.86 18.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.22 -10.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.4 m -89.3 121.63 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.4 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.69 -48.2 75.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -65.35 -37.34 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.66 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -61.22 -51.17 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.782 ' HG2' HD13 ' A' ' 120' ' ' LEU . 16.7 mtp -64.49 -40.84 96.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.407 ' C ' ' OE2' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.48 -40.96 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.02 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 120' ' ' LEU . 5.5 p -71.26 -43.06 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 59.2 tp -66.62 -40.18 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.03 -48.93 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -66.84 -24.21 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -93.33 16.62 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.25 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.96 -59.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -56.82 -42.18 79.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.47 -44.63 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 10.9 ttp-105 -55.78 -44.62 77.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -66.09 -41.84 90.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 113' ' ' VAL . 42.4 mt -57.22 -34.62 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.839 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.1 mt -76.57 -37.35 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.31 -35.8 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 168' ' ' MET . 74.0 m -37.88 -49.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -59.06 131.75 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 172' ' ' THR . 2.7 mp0 -84.83 -44.2 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.2 p -36.08 -53.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 176' ' ' VAL . 3.3 mp -56.85 116.62 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -68.15 -67.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.13 125.86 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.401 HG22 HD23 ' A' ' 173' ' ' LEU . 77.2 t -105.71 99.16 20.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.621 0.724 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.409 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.33 27.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.87 HD13 HD21 ' A' ' 104' ' ' LEU . 61.1 mt -91.86 130.19 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.3 114.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.96 132.04 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.29 140.66 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -71.97 129.26 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.0 p-10 -59.23 85.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -94.29 -44.69 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 94.76 -50.66 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -131.35 92.22 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -108.83 114.44 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -112.18 41.76 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.53 136.58 46.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -126.83 81.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.14 92.74 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 12.9 mt -122.68 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -129.96 157.07 43.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.75 139.83 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.15 129.46 27.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 58.1 mt -153.34 129.64 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -172.61 129.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.48 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -160.56 119.32 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.44 133.87 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 27.7 t -168.95 153.62 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.14 73.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 173.56 10.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.709 2.273 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 3.6 m -143.67 166.56 24.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.2 t -120.42 155.33 33.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -65.55 129.91 41.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.366 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -163.46 147.75 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.01 159.57 6.28 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -91.11 50.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.828 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 p -70.0 165.47 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.11 49.68 0.87 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' HG2' ' CG ' ' A' ' 88' ' ' GLU . 10.6 ptt180 -76.58 -175.66 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ARG . 39.8 pttt -37.25 -38.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.5 pp20? -38.82 -48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLU . 31.0 t70 -34.42 -53.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.68 -44.04 97.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -70.51 -36.31 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 19.5 mt -62.31 -45.21 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -70.03 -45.1 67.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -63.74 -35.07 79.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -70.42 -37.67 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . -75.07 -37.57 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 95' ' ' ALA . 25.6 mt -61.63 -50.01 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 21.5 mt -68.14 -38.57 82.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.765 ' O ' HG22 ' A' ' 105' ' ' THR . 57.3 t80 -66.11 -39.13 89.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -74.09 -41.41 61.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.41 -42.07 72.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 124' ' ' LEU . 33.4 mt -62.36 -50.38 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.8 t -63.64 -34.0 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.94 -41.85 99.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.82 -42.67 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -65.28 -4.91 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.69 -28.03 19.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -112.27 111.99 52.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.637 0.732 . . . . 0.0 111.098 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.77 1.57 4.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.401 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.48 -51.8 65.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 166' ' ' LEU . 10.4 p -91.8 -54.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.659 ' N ' HG13 ' A' ' 113' ' ' VAL . 55.0 p -91.6 65.74 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.08 -47.11 87.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.69 -42.01 91.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -60.86 -51.23 70.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 45.1 t80 -53.84 -50.06 67.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -43.47 -35.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 152' ' ' MET . 12.4 mt -80.7 -34.65 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.59 54.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.98 150.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.77 122.62 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.3 mt -61.49 151.2 33.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.3 p -119.4 -42.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -165.84 157.47 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.23 128.02 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 t -106.94 116.2 31.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 96' ' ' LEU . 16.4 tp -108.32 140.29 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.5 p -70.74 152.26 95.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -33.35 16.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.404 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.59 0.57 25.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 7.2 m-85 60.98 25.74 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 59.3 m -90.16 -76.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 149.63 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.42 101.93 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.88 140.03 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.06 124.48 26.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.94 133.09 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.532 ' CH2' HG22 ' A' ' 142' ' ' THR . 28.7 p-90 -127.01 144.24 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -49.66 127.49 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.8 p -132.13 168.52 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.579 HG23 ' OE1' ' A' ' 148' ' ' GLN . 82.7 p -89.93 178.48 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -90.8 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -131.3 132.99 44.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.33 75.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.37 -48.08 81.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.579 ' OE1' HG23 ' A' ' 143' ' ' THR . 0.9 OUTLIER -65.65 -45.78 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 10.0 m-20 -61.59 -35.92 79.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.09 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.82 -51.1 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 120' ' ' LEU . 12.9 mtp -65.12 -44.89 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 29.5 tt0 -62.15 -37.05 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.43 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.8 p -71.19 -41.37 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 117' ' ' LEU . 55.7 tp -69.12 -42.71 75.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.93 -52.04 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -16.88 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.5 m -99.14 9.75 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.02 -45.04 13.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.08 -60.86 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.01 -41.03 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.8 mtm -56.96 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 9.4 ttp-105 -55.93 -46.0 78.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.7 -42.09 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 113' ' ' VAL . 26.3 mt -57.3 -36.02 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 103' ' ' ALA . 31.3 mt -78.94 -28.51 43.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -35.79 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 16.1 t -38.52 -35.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -72.15 93.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.3 pp0? -47.86 -40.04 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 37.1 m -34.27 -60.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.94 128.24 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -72.25 -67.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -127.07 124.37 39.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.94 99.18 17.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.8 170.2 17.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 104' ' ' LEU . 57.0 mt -91.92 127.96 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.82 115.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 62.2 m-85 -81.78 126.62 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.12 144.05 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 77.2 mt-30 -71.03 127.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 2.9 t70 -35.75 -59.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -138.54 110.0 7.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -76.42 71.96 1.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.445 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -70.04 116.08 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -109.12 -52.59 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -98.53 77.29 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 39.7 tp -111.11 86.22 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -116.03 169.99 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -129.75 107.23 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -105.52 140.18 39.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -122.54 153.5 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -116.5 144.19 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 9.3 tt -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.99 117.27 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -147.31 137.57 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.03 163.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.36 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -126.25 91.19 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 53.2 p -133.41 153.47 51.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 142.9 68.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.74 59.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 12.9 t -70.31 117.45 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.6 t -139.26 149.98 44.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.6 p -132.78 128.02 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -103.92 -44.45 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.14 55.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.4 m -65.43 121.0 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -156.38 121.85 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.54 -123.57 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.78 170.37 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.5 ttpm? -60.73 -42.71 97.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 91' ' ' ALA . 21.7 mm-40 -37.07 -48.26 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 18.1 m-20 -37.44 -48.77 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -65.12 -36.96 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.26 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -72.8 -33.64 66.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 31.7 mt -65.34 -45.13 85.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -72.04 -43.39 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.5 -43.69 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.6 -46.91 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 93' ' ' LEU . 39.8 m-20 -63.23 -45.14 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.26 -36.98 55.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 173' ' ' LEU . 27.7 mt -64.87 -49.12 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 96' ' ' LEU . 29.5 mt -67.3 -37.35 83.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.581 ' O ' HG22 ' A' ' 105' ' ' THR . 43.6 t80 -64.86 -42.75 94.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -74.86 -38.88 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.785 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.47 -43.09 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 179' ' ' ILE . 35.9 mt -64.33 -50.45 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.3 t -61.22 -32.21 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 -41.0 84.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.73 -41.74 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 104' ' ' LEU . 6.1 mp -70.3 -5.87 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.04 -23.54 21.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -115.89 115.85 40.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.79 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 25.4 pt-20 -53.99 -51.7 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 114' ' ' SER . 6.5 p -91.47 -58.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.685 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.4 m -92.48 73.63 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -60.59 -46.87 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.555 ' OE1' HG21 ' A' ' 155' ' ' VAL . 2.4 tm-20 -66.21 -42.39 88.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 156' ' ' LEU . 12.5 tp -58.44 -44.92 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 60.9 t80 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -43.36 -34.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.7 -33.04 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 118' ' ' TYR . 4.1 t30 73.28 54.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 117' ' ' LEU . 2.7 p -88.6 149.29 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -139.81 126.69 20.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.82 157.55 27.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 p -131.33 -37.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 39.4 tttt -165.58 153.23 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 90.3 t -127.13 137.71 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 137' ' ' ARG . 8.1 t -116.4 111.66 20.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -104.08 141.46 36.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 135' ' ' ALA . 78.5 p -69.4 152.46 96.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.52 26.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -86.12 5.91 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 129' ' ' LEU . 12.1 m-85 55.56 26.48 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 30.1 t -90.25 -75.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.49 141.35 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.6 t -119.81 101.53 7.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' SER . 20.1 mtp180 -96.62 138.5 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.43 136.97 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.93 133.08 45.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.797 ' CZ3' HG22 ' A' ' 142' ' ' THR . 25.4 p-90 -120.93 147.0 46.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.61 119.17 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.797 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 72.7 p -123.25 170.18 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.4 p -102.27 -176.39 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 tp -91.34 35.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -133.16 123.26 25.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.28 -27.68 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.5 -47.81 82.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.2 pp0? -69.73 -38.09 76.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 17.6 m-80 -62.05 -38.85 90.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.96 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.46 -50.07 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.4 mtp -64.41 -44.39 91.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.4 tt0 -62.47 -38.75 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.74 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.555 HG21 ' OE1' ' A' ' 116' ' ' GLU . 6.8 p -71.56 -40.95 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.8 tp -69.23 -43.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.05 -52.32 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -65.64 -17.49 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.89 8.89 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.01 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -43.17 -61.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.38 -41.73 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.6 mtm -57.16 -43.73 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.9 ttp-105 -55.82 -46.01 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -63.78 -41.92 97.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -57.87 -35.47 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.785 HD22 ' HB1' ' A' ' 103' ' ' ALA . 24.3 mt -75.18 -35.29 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.3 mtt -45.93 -35.93 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 3.5 t -37.16 -48.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.27 115.97 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 172' ' ' THR . 47.9 tt0 -73.4 -40.04 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.782 HG23 HD12 ' A' ' 173' ' ' LEU . 5.3 t -33.99 -39.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 172' ' ' THR . 4.3 mp -75.77 132.31 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.82 -74.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -115.49 125.24 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.5 t -103.89 99.41 16.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.457 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.71 170.22 17.03 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.83 28.9 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.555 HD13 HD21 ' A' ' 104' ' ' LEU . 53.0 mt -91.86 130.19 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.7 115.08 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 82.3 m-85 -81.89 131.65 35.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.32 143.35 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.7 129.24 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.42 99.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -107.87 112.73 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -55.13 -85.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -136.18 148.79 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -114.96 118.1 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -115.79 79.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.07 94.87 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -129.36 148.96 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.3 98.55 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 13.5 mt -120.11 133.88 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -131.65 125.21 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -137.87 137.6 38.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tt -138.82 136.98 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 81.9 mt -148.77 128.34 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -173.18 108.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.17 143.43 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -159.32 148.55 18.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -109.55 155.27 21.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.1 t -170.82 118.71 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 163.64 78.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 131.16 20.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 28.2 p -56.02 -49.14 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 37.5 p 39.76 42.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -110.27 158.79 18.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 0.0 110.796 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -115.59 -60.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.27 -125.71 3.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -128.13 145.23 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -114.62 148.63 37.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.84 -111.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -68.98 156.3 38.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.12 -32.22 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.25 -52.58 43.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -60.48 -36.04 77.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.15 75.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -72.44 -31.85 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.2 mt -65.65 -45.06 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -71.92 -40.93 68.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.22 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -65.63 -47.05 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.0 83.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.56 -38.09 78.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.81 -49.11 74.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.2 mt -64.28 -38.27 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' O ' HG22 ' A' ' 105' ' ' THR . 66.6 t80 -66.51 -44.69 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.88 -42.93 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 179' ' ' ILE . 22.4 mt -62.05 -50.06 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.9 t -65.3 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -66.04 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 113' ' ' VAL . 32.5 mt -64.54 -37.65 88.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -71.7 -0.94 12.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.1 m -90.49 -21.86 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 120.62 28.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 111.122 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -52.49 -50.59 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.74 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -89.81 -67.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.74 ' H ' HG13 ' A' ' 113' ' ' VAL . 4.7 m -90.36 76.96 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.03 -47.48 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.33 -42.16 88.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.9 tp -60.97 -36.48 79.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 83.8 t80 -66.83 -51.09 59.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.15 -25.31 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.2 mt -81.42 -35.22 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 74.22 50.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 108' ' ' LEU . 6.5 p -83.57 153.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 122' ' ' VAL . 11.8 pt-20 -146.39 124.33 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.5 mt -59.73 145.55 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 t -115.18 -35.47 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 19.0 ttmt -163.63 146.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.469 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 66.6 t -125.66 128.06 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.2 t -107.79 119.11 38.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.6 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 36.1 p -69.81 153.52 95.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.527 0.679 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -35.17 13.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.48 4.06 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 129' ' ' LEU . 11.2 m-85 58.42 27.7 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -90.13 -75.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.08 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.33 101.99 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.89 141.41 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.12 21.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -100.96 126.92 47.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 45.4 p-90 -120.75 142.48 49.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' TRP . 16.4 mmtp -36.71 125.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 p -134.08 141.87 47.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.7 t -102.29 -179.69 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 143' ' ' THR . 8.4 tp -82.96 19.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 148' ' ' GLN . 1.1 t -102.13 110.13 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.95 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.91 -48.1 75.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.534 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -68.76 -39.8 80.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -61.96 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.77 65.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.71 -50.3 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.534 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 26.7 mtp -64.8 -45.39 86.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -62.52 -39.33 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 -44.83 92.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 120' ' ' LEU . 7.6 p -71.48 -41.18 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.54 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 61.9 tp -68.29 -41.08 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.83 -51.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -64.64 -22.51 66.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -95.61 17.17 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -54.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.22 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.75 -41.62 77.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -59.82 -44.67 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -56.0 -44.12 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.7 -42.66 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.79 -34.99 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.569 HD22 ' HB1' ' A' ' 103' ' ' ALA . 11.1 mt -74.84 -36.21 62.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.0 mtt -42.79 -32.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 19.1 t -41.49 -56.3 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 173' ' ' LEU . 42.6 mt-30 -40.98 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -123.02 -39.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 73.2 m -38.45 -55.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.8 pt? -62.69 161.47 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.47 -69.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.47 165.92 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.713 ' CG2' HD11 ' A' ' 173' ' ' LEU . 54.5 t -123.71 99.61 38.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.6 Cg_endo -69.76 169.94 17.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.72 21.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.726 HD13 HD21 ' A' ' 104' ' ' LEU . 53.4 mt -92.03 125.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.07 116.32 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.54 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 78.2 m-85 -82.15 121.68 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.5 t -119.22 143.07 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -71.19 128.01 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -45.43 -53.86 8.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -121.56 93.59 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -78.94 85.05 1.21 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.423 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -41.59 123.65 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -128.77 107.5 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -84.65 38.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 11.3 tp -83.69 40.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -127.62 159.71 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.57 107.62 8.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.94 40.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -97.52 79.1 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -107.37 112.39 25.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -135.38 138.11 42.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 12.8 tp -174.5 151.15 1.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -169.71 162.23 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.87 138.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -98.23 158.15 15.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.36 156.97 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 80.9 p -165.68 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 139.48 -175.94 21.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -177.23 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 16.1 t -155.07 126.49 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.7 t -155.36 148.0 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' ALA . 22.3 tp10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 27.6 t0 -35.86 -58.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -65.58 -33.03 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.0 -44.2 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -71.66 -36.98 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 133' ' ' PHE . 33.4 mt -65.62 -45.04 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -72.07 -43.94 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.95 -45.76 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.19 -46.28 77.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.75 -47.27 85.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.88 -38.47 60.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 173' ' ' LEU . 22.5 mt -60.97 -48.98 79.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 HD12 ' CD2' ' A' ' 96' ' ' LEU . 32.4 mt -66.46 -38.11 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 105' ' ' THR . 62.0 t80 -66.54 -42.2 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.8 -41.15 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.78 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.79 -42.48 73.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 HD13 ' A' ' 179' ' ' ILE . 29.6 mt -62.53 -50.22 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.82 -30.46 71.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.65 -41.67 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.04 -34.74 79.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -75.52 3.06 10.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.4 m -92.46 -30.85 15.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.5 m -113.76 117.56 44.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.22 -52.37 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.19 -55.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.6 p -92.06 70.06 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.38 -47.54 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.66 -42.44 86.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -59.51 -50.41 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 61.7 t80 -55.47 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -44.23 -30.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 155' ' ' VAL . 13.6 mt -78.45 -32.59 48.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 118' ' ' TYR . 47.1 t30 73.23 47.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.465 HG13 HD23 ' A' ' 108' ' ' LEU . 13.2 p -80.57 152.26 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -144.58 118.11 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.95 157.66 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.2 p -128.9 -40.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 2.1 tmmm? -160.44 148.62 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.93 127.91 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.7 t -106.46 113.14 26.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.4 tp -109.06 140.52 42.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.0 p -69.86 152.72 95.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 -27.89 26.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -81.6 -1.77 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.5 m-85 62.59 25.73 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 24.2 t -90.0 -76.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.65 147.21 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.485 ' SG ' HD13 ' A' ' 100' ' ' LEU . 26.2 t -123.73 101.85 7.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.87 141.8 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.73 130.21 39.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -100.96 132.37 46.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 142' ' ' THR . 22.1 p-90 -126.29 142.92 51.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -55.02 115.09 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.546 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.2 p -106.87 165.43 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -88.96 -177.58 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.4 33.74 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -141.5 121.13 13.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.24 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -60.24 -45.62 92.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.406 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.2 -45.11 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.58 -37.52 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.62 -49.29 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.401 ' HG2' HD13 ' A' ' 120' ' ' LEU . 23.2 mtp -62.57 -44.96 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.32 -38.77 90.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.59 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 120' ' ' LEU . 5.7 p -71.18 -42.83 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 117' ' ' LEU . 26.3 tp -67.55 -40.0 84.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.68 -52.04 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.8 ptp85 -66.08 -18.2 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.4 15.13 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -53.82 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.88 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -56.94 -44.15 82.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.3 mtm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.8 ttp-105 -55.84 -43.89 77.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -66.02 -42.27 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -56.97 -35.07 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.78 HD22 ' HB1' ' A' ' 103' ' ' ALA . 18.0 mt -75.56 -37.66 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.5 mtt -44.21 -39.7 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 22.6 t -36.96 -46.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.32 93.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 44.7 mt-30 -53.55 -40.15 65.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 97.5 m -37.34 -41.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 99' ' ' LEU . 4.1 mm? -67.17 120.77 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -69.51 -70.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.41 120.59 34.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.8 t -102.24 99.41 12.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.4 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.22 27.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.812 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -91.97 130.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.78 118.53 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 74.9 m-85 -81.99 131.41 35.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -125.12 141.21 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -71.14 128.92 37.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 9.9 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -35.89 -48.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.86 -42.0 99.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 173' ' ' LEU . 0.1 OUTLIER -69.67 -34.43 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 20.3 mt -66.24 -44.94 82.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.19 -44.64 71.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -65.54 -43.72 89.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.1 tt -69.23 -45.35 70.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.35 -47.84 75.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.49 -37.01 92.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 95' ' ' ALA . 21.1 mt -63.95 -48.9 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.4 mt -65.28 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.542 ' O ' HG22 ' A' ' 105' ' ' THR . 38.9 t80 -65.88 -43.91 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -42.42 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.06 -38.81 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -66.0 -50.04 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 101' ' ' TYR . 15.0 t -69.99 -25.31 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -42.81 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.49 -35.14 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.1 mp -70.31 -4.48 22.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.92 -21.82 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -119.03 112.44 36.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.125 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.83 -3.45 12.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.33 -52.24 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.99 HG21 HD11 ' A' ' 166' ' ' LEU . 10.1 p -92.13 -55.12 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 84.9 p -91.96 66.19 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.24 -46.76 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 114' ' ' SER . 7.6 tp -60.79 -50.88 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 54.7 t80 -53.48 -52.89 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -40.89 -33.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.636 HD13 ' HG2' ' A' ' 152' ' ' MET . 15.6 mt -80.73 -35.27 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 118' ' ' TYR . 6.9 t30 74.45 53.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.44 149.41 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -136.7 120.61 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.422 HD12 ' HB ' ' A' ' 105' ' ' THR . 19.7 mt -61.03 158.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -128.02 -38.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.39 155.29 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.0 t -124.68 131.98 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 137' ' ' ARG . 14.5 t -110.67 111.81 23.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 133' ' ' PHE . 13.9 tp -106.73 141.43 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 23.5 p -69.54 151.68 96.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.21 32.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.99 3.06 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.53 ' CD1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 58.5 26.07 13.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 81.7 p -90.24 -76.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.43 144.81 25.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.0 t -123.28 101.61 7.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' SER . 37.6 mtp180 -96.88 140.88 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.65 135.87 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -100.81 131.86 46.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CZ3' HG22 ' A' ' 142' ' ' THR . 14.4 p-90 -121.99 142.72 50.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -54.04 120.27 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -121.3 171.99 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.567 HG23 HE22 ' A' ' 148' ' ' GLN . 19.2 p -101.2 177.01 5.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.48 20.94 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.5 m -118.36 126.47 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -47.81 83.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.567 HE22 HG23 ' A' ' 143' ' ' THR . 0.1 OUTLIER -70.74 -41.06 72.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.31 -36.15 83.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -69.16 -49.48 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.636 ' HG2' HD13 ' A' ' 120' ' ' LEU . 41.2 mtp -60.38 -44.97 95.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.38 -39.02 91.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.13 -44.74 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.412 HG11 HD11 ' A' ' 120' ' ' LEU . 6.5 p -71.4 -41.12 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 54.3 tp -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -61.38 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 0.7 OUTLIER -65.51 -17.23 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.71 9.8 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.06 -49.25 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.79 -61.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -56.76 -43.3 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.1 mtm -57.05 -41.45 78.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.8 -46.02 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.09 -42.52 89.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.99 HD11 HG21 ' A' ' 113' ' ' VAL . 30.0 mt -55.64 -34.93 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.714 HD22 ' HB1' ' A' ' 103' ' ' ALA . 10.7 mt -75.36 -41.24 56.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 167' ' ' LEU . 16.7 mtt -37.87 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 167' ' ' LEU . 66.5 m -46.74 -51.21 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -37.79 135.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.54 39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 62.5 m -120.62 -52.84 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 174' ' ' ARG . 2.4 pp -65.06 170.55 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 173' ' ' LEU . 9.1 tpt180 -90.35 -75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.51 ' O ' HD13 ' A' ' 173' ' ' LEU . 3.5 t30 -116.6 155.69 28.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 173' ' ' LEU . 46.1 t -120.0 98.63 49.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.73 170.13 17.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.55 28.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.801 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -91.87 127.2 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.17 116.02 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.571 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.0 m-85 -81.85 132.44 35.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.82 143.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.59 128.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 17.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.8 mm-40 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -39.63 -44.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -63.2 -38.54 91.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.83 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -72.27 -32.75 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.3 mt -66.04 -45.15 82.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -72.2 -44.3 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.08 -48.02 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -64.8 -46.65 81.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.66 -48.11 82.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.73 -34.89 62.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.9 mt -66.24 -46.93 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.5 mt -66.79 -38.17 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 105' ' ' THR . 32.1 t80 -66.91 -42.81 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -72.07 -42.85 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.746 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.78 -40.93 75.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HD13 ' A' ' 179' ' ' ILE . 39.7 mt -63.05 -50.04 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 101' ' ' TYR . 6.7 t -67.61 -27.29 66.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.99 -41.13 82.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.51 -33.42 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -72.62 -0.47 13.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.1 m -91.63 -27.96 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.23 113.79 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.6 -51.65 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 166' ' ' LEU . 10.6 p -91.65 -54.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.663 ' N ' HG13 ' A' ' 113' ' ' VAL . 28.5 p -91.78 65.09 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.01 -47.29 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 155' ' ' VAL . 0.6 OUTLIER -66.19 -42.13 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 156' ' ' LEU . 11.4 tp -61.66 -46.66 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 40.9 t80 -56.93 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -45.36 -36.16 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 155' ' ' VAL . 15.3 mt -78.42 -29.5 47.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 t30 67.18 52.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 117' ' ' LEU . 7.3 p -78.89 147.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -130.87 117.86 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.22 148.74 49.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.2 t -114.65 -41.74 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -168.71 159.85 10.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.5 t -123.41 129.33 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.7 t -108.03 114.93 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.2 tp -110.53 141.17 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.2 p -69.86 153.51 95.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.12 31.22 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.92 0.59 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.587 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.4 m-85 59.92 24.94 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.2 t -90.16 -75.15 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.39 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.47 101.87 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -87.75 141.04 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.96 126.51 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -101.35 131.52 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' HG22 ' A' ' 142' ' ' THR . 39.5 p-90 -125.53 148.48 48.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -56.36 122.81 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.561 HG22 ' CH2' ' A' ' 140' ' ' TRP . 68.8 p -122.99 173.18 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.1 p -98.37 175.67 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -88.13 36.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 m -137.03 131.86 33.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.0 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.77 -45.4 94.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.492 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.46 -40.54 85.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.1 -38.72 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.02 -46.61 86.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.459 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.6 t60 -60.74 -49.83 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.798 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 38.3 mtp -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.423 ' CG ' HE21 ' A' ' 157' ' ' GLN . 11.1 tt0 -62.48 -38.34 89.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.9 83.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.43 -41.07 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 117' ' ' LEU . 49.5 tp -68.37 -45.77 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.423 HE21 ' CG ' ' A' ' 153' ' ' GLU . 17.9 mt-30 -59.11 -51.28 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 159' ' ' SER . 3.3 ptp180 -58.31 -32.92 68.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -88.54 18.3 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.1 -47.5 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.25 -42.03 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.4 mtm -58.58 -40.91 84.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -55.47 -46.22 76.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.38 -41.95 88.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 113' ' ' VAL . 40.8 mt -55.29 -34.92 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.746 HD22 ' HB1' ' A' ' 103' ' ' ALA . 12.3 mt -80.26 -33.8 37.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.2 mmt -49.0 -24.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.6 m -50.77 -42.89 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -45.25 163.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 172' ' ' THR . 14.4 pt20 -121.14 -37.98 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 171' ' ' GLN . 35.7 m -36.99 -72.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 1.052 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -51.42 170.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -110.44 -36.08 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' CD ' ' A' ' 174' ' ' ARG . 9.4 p-10 -139.52 150.28 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 173' ' ' LEU . 37.8 t -117.26 99.13 52.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 111.185 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.69 168.51 21.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.28 23.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.687 HD13 HD21 ' A' ' 104' ' ' LEU . 61.0 mt -91.93 122.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.1 115.85 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 56.9 m-85 -81.99 124.28 29.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 88.9 t -123.93 138.09 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.53 127.96 34.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' GLU . 28.5 m-20 -36.96 -48.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.05 -39.05 93.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -67.32 -47.12 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -70.97 -32.47 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 28.6 mt -65.61 -45.1 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.08 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.43 -45.93 78.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -67.59 -47.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.38 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -36.69 68.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 173' ' ' LEU . 20.9 mt -63.81 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 96' ' ' LEU . 26.1 mt -64.46 -38.32 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.79 ' O ' HG22 ' A' ' 105' ' ' THR . 61.0 t80 -65.41 -42.83 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -39.57 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.908 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.39 -42.89 74.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 179' ' ' ILE . 22.3 mt -62.98 -50.34 71.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 101' ' ' TYR . 4.9 t -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.9 -38.18 82.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.64 -36.04 75.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -75.78 5.57 6.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.3 m -96.57 -28.57 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -112.17 115.78 49.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.73 3.15 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -58.14 -51.99 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.047 HG21 HD11 ' A' ' 166' ' ' LEU . 10.5 p -91.86 -54.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.665 ' N ' HG13 ' A' ' 113' ' ' VAL . 76.9 p -91.89 64.86 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.51 -46.61 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG3' ' CG2' ' A' ' 155' ' ' VAL . 0.1 OUTLIER -65.25 -39.71 93.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 9.1 tp -64.44 -51.11 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 38.3 t80 -52.83 -49.67 65.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -41.67 -30.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.578 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -87.5 -32.7 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 118' ' ' TYR . 7.1 t-20 71.91 54.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.4 p -79.54 151.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -137.23 125.09 22.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 104' ' ' LEU . 29.5 mt -61.57 156.5 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.4 p -128.31 -39.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 21.3 ttpt -167.75 150.56 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 48.2 t -124.89 126.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -108.98 118.23 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 133' ' ' PHE . 12.4 tp -110.36 141.1 43.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -69.82 153.94 95.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.701 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.46 31.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.26 3.11 53.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CD1' HD21 ' A' ' 129' ' ' LEU . 21.7 m-85 58.56 28.15 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.4 m -90.36 -76.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.83 151.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.9 t -129.63 101.76 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.63 141.15 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.4 124.67 26.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.405 ' HB3' ' CG ' ' A' ' 184' ' ' ASP . 95.7 m-85 -100.65 132.48 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.571 ' CH2' HG22 ' A' ' 142' ' ' THR . 18.8 p-90 -123.6 160.24 27.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.33 119.76 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.571 HG22 ' CH2' ' A' ' 140' ' ' TRP . 18.7 p -113.86 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.0 p -89.52 -177.93 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 tp -80.62 -23.94 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.5 m -90.11 130.32 36.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.36 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.98 -48.02 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 14.7 tm0? -61.34 -38.24 86.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.86 -37.17 86.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.53 -47.69 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.7 t60 -61.01 -50.98 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.578 ' HG2' HD13 ' A' ' 120' ' ' LEU . 8.5 mtp -65.11 -42.92 93.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 116' ' ' GLU . 5.4 p -71.3 -41.76 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.9 tp -66.97 -44.77 79.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.99 -50.68 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -62.5 -28.54 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -86.58 18.26 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.91 -46.32 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.36 -60.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -56.97 -41.34 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.3 mtt -56.86 -47.86 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.81 -45.99 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.59 -42.82 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.047 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -55.62 -36.93 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.908 HD22 ' HB1' ' A' ' 103' ' ' ALA . 42.5 mt -72.84 -40.75 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 169' ' ' SER . 22.0 mtt -40.78 -39.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 168' ' ' MET . 4.9 t -37.24 -43.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -51.72 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 172' ' ' THR . 29.9 tp60 -128.73 -56.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.0 p -37.08 -35.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 99' ' ' LEU . 4.0 mp -70.87 135.75 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.57 -73.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.95 137.96 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 83.9 t -116.25 99.4 52.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.668 0.747 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.3 Cg_endo -69.79 170.08 17.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 131.39 21.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 104' ' ' LEU . 60.8 mt -91.87 125.06 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.42 116.77 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.575 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.84 124.76 29.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.78 143.77 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.72 133.88 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.405 ' CG ' ' HB3' ' A' ' 139' ' ' TYR . 3.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.1 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -38.68 -51.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.56 -36.63 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.72 -47.9 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.32 -34.3 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -64.04 -44.82 91.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -70.76 -43.09 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.57 -41.33 88.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.2 tt -69.37 -45.75 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.16 -46.03 82.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.03 -41.4 71.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.499 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.4 mt -60.27 -46.96 88.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 mt -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.02 -44.72 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' THR . 16.5 tppt? -69.74 -46.62 65.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.24 -37.66 88.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 124' ' ' LEU . 25.1 mt -65.87 -50.09 65.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 102' ' ' LYS . 8.9 t -62.91 -28.15 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.28 -46.11 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.32 -32.71 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -76.68 -1.0 25.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 96.2 m -95.1 -17.34 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' OE1' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -117.79 113.61 37.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.145 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.8 -2.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.612 ' OE1' HG21 ' A' ' 110' ' ' THR . 28.5 mt-10 -54.89 -51.78 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.816 HG21 HD11 ' A' ' 166' ' ' LEU . 9.9 p -92.06 -55.27 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.671 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -92.14 65.47 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.76 -47.15 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.671 HD11 HG11 ' A' ' 122' ' ' VAL . 15.0 tp -62.91 -51.35 67.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 46.6 t80 -51.65 -48.21 63.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -23.08 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD13 ' HG2' ' A' ' 152' ' ' MET . 43.7 mt -90.21 -34.58 15.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.9 44.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -72.35 157.68 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.505 ' N ' HG22 ' A' ' 122' ' ' VAL . 29.0 mt-10 -144.42 122.91 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.3 mt -63.03 145.51 55.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.3 p -114.12 -36.17 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -173.89 155.79 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.61 132.69 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -112.83 118.29 34.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 133' ' ' PHE . 15.3 tp -110.93 141.2 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.474 HG23 ' NH1' ' A' ' 137' ' ' ARG . 1.6 p -69.71 156.16 92.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.55 29.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.73 4.36 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.679 ' CD1' HD21 ' A' ' 129' ' ' LEU . 7.5 m-85 54.98 25.5 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 17.3 t -90.06 -75.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.04 151.66 21.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.7 t -131.15 101.92 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.474 ' NH1' HG23 ' A' ' 130' ' ' THR . 0.2 OUTLIER -85.52 141.73 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -130.76 125.64 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -100.93 131.31 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 142' ' ' THR . 33.3 p-90 -125.07 142.79 51.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -41.59 124.1 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 140' ' ' TRP . 11.5 p -134.9 -176.38 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.1 t -137.79 177.0 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 143' ' ' THR . 13.6 tp -77.01 5.91 7.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -91.27 103.97 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.68 -48.0 78.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 1.5 pp0? -69.52 -36.98 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.433 ' OD1' ' NE2' ' A' ' 148' ' ' GLN . 63.9 m-20 -68.52 -38.09 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.64 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 3.4 t60 -67.45 -47.92 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.4 ' HG2' HD13 ' A' ' 120' ' ' LEU . 37.8 mtp -64.42 -42.56 95.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.12 98.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.93 92.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.47 -40.72 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.6 tp -66.05 -42.69 89.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -62.18 -51.96 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -63.52 -14.09 47.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 18.1 m -103.98 6.27 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.7 -49.1 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.91 -59.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -56.86 -43.18 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.9 mtm -57.74 -43.05 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -55.96 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -63.99 -44.99 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.816 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -55.53 -34.92 65.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.6 mt -73.87 -39.03 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.5 mtt -41.98 -40.07 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 8.2 t -38.77 -53.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 167' ' ' LEU . 4.7 mp0 -54.25 93.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.6 pt20 -54.72 -39.44 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 171' ' ' GLN . 10.5 t -34.73 -40.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.499 ' HG ' HD13 ' A' ' 99' ' ' LEU . 9.2 mt -78.79 118.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -62.18 -69.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 175' ' ' ASN . 1.0 OUTLIER -119.9 131.87 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.8 t -109.59 99.41 37.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.0 Cg_endo -69.77 170.0 17.6 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 134.32 27.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.638 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -92.79 135.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.25 117.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -82.08 126.38 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.27 143.92 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.05 131.85 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.9 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.82 -45.3 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -65.39 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.57 -47.17 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 13.7 ttm105 -71.39 -29.02 64.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 HD23 ' A' ' 129' ' ' LEU . 24.7 mt -65.46 -44.9 85.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -71.91 -44.35 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.67 -46.52 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.2 tt -66.09 -46.96 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.4 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.58 62.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.669 HD13 ' CB ' ' A' ' 173' ' ' LEU . 21.5 mt -62.46 -49.34 75.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 96' ' ' LEU . 35.7 mt -67.05 -39.72 86.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -66.75 -42.49 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.7 -41.15 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.945 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.25 -42.77 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 179' ' ' ILE . 24.2 mt -63.3 -50.49 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -65.04 -28.13 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.39 -35.0 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.69 -34.66 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -74.67 1.57 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.43 -34.04 15.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m -108.68 117.0 55.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.2 2.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.232 . . . . 0.0 112.354 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.67 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.62 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 25.6 p -92.61 68.52 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -60.17 -47.46 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.77 -41.97 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 14.3 tp -62.27 -40.81 97.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 63.1 t80 -61.66 -51.79 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -45.39 -33.01 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 117' ' ' LEU . 10.6 mt -76.72 -30.81 56.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' TYR . 65.0 t30 68.41 44.57 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.48 147.45 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -135.03 123.53 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.0 mt -50.57 153.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -120.34 -40.89 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 24.7 ttmt -170.36 147.43 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.471 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 96.3 t -121.45 126.53 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.8 t -109.08 119.01 38.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.6 tp -109.51 139.59 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.1 p -70.04 154.24 94.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -24.1 30.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.42 4.85 37.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD1' HD21 ' A' ' 129' ' ' LEU . 8.6 m-85 54.51 25.07 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.41 ' O ' ' HD2' ' A' ' 178' ' ' PRO . 0.9 OUTLIER -90.85 -73.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.39 148.4 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 100' ' ' LEU . 29.5 t -126.55 102.55 7.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.92 140.76 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.69 120.62 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -100.99 127.38 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.493 ' CH2' HG22 ' A' ' 142' ' ' THR . 26.0 p-90 -120.1 155.99 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -58.41 122.09 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.493 HG22 ' CH2' ' A' ' 140' ' ' TRP . 44.0 p -123.1 158.59 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.9 p -89.66 171.76 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.5 tp -85.85 35.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.3 m -137.17 122.74 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.14 96.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.87 -47.42 85.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.57 -43.07 90.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.31 -35.9 80.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.57 -49.84 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.1 t60 -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 19.8 mtp -64.43 -45.0 89.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.0 -36.9 82.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.36 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.29 -40.87 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 181' ' ' PHE . 40.8 tp -69.35 -44.34 71.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.1 -52.13 65.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.9 ppt_? -64.01 -14.25 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.7 m -103.35 18.1 22.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.96 -50.55 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -59.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -56.81 -42.92 80.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 3.9 mtm -56.92 -46.31 82.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -55.85 -45.02 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.39 -42.42 92.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 113' ' ' VAL . 46.9 mt -55.78 -37.04 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.945 HD22 ' HB1' ' A' ' 103' ' ' ALA . 56.3 mt -74.27 -38.11 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.8 mtt -45.83 -30.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.7 t -40.33 -46.82 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -78.1 138.69 38.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 36.8 mm-40 -101.34 -32.71 10.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 57.5 m -37.29 -52.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.669 ' CB ' HD13 ' A' ' 99' ' ' LEU . 4.4 pp -60.25 171.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 175' ' ' ASN . 21.5 mmt180 -103.98 -174.65 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 174' ' ' ARG . 8.8 t30 -34.1 127.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.487 HG22 HD13 ' A' ' 173' ' ' LEU . 58.2 t -102.32 98.92 11.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.07 17.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.79 132.84 24.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.625 HD13 HD21 ' A' ' 104' ' ' LEU . 61.7 mt -91.93 130.78 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 42.5 t -122.35 116.42 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.576 ' CD1' HD21 ' A' ' 156' ' ' LEU . 68.6 m-85 -82.0 121.17 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.73 143.99 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 40.1 mt-30 -71.22 128.46 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -43.19 -43.43 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -67.98 -38.25 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.2 -47.76 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -71.9 -37.32 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.69 -45.24 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -72.24 -41.69 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.36 -48.9 68.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.4 tt -63.92 -47.05 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.3 -36.08 83.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.408 HD22 ' OE1' ' A' ' 170' ' ' GLN . 22.1 mt -64.06 -45.9 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 136' ' ' CYS . 36.8 mt -66.65 -36.14 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.693 ' O ' HG22 ' A' ' 105' ' ' THR . 57.5 t80 -66.61 -41.47 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.93 -42.92 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.98 -40.57 75.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 HD13 ' A' ' 179' ' ' ILE . 35.3 mt -63.46 -50.11 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 101' ' ' TYR . 10.2 t -66.72 -28.24 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.63 -40.84 84.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.94 -38.42 91.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -70.16 -2.18 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 70.3 m -89.71 -26.9 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 114.5 42.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.517 0.675 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.75 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.76 -52.07 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 166' ' ' LEU . 7.4 p -91.94 -58.42 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 37.3 m -92.73 69.13 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.5 -47.03 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.38 -42.31 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 7.6 tp -59.59 -51.19 70.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 47.0 t80 -52.03 -49.54 63.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.72 -40.33 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' HG2' ' A' ' 152' ' ' MET . 14.7 mt -77.15 -26.38 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' TYR . 11.2 m120 62.43 54.49 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 117' ' ' LEU . 7.4 p -80.12 150.59 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -134.3 123.75 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 105' ' ' THR . 27.4 mt -63.64 157.86 22.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 t -127.68 -40.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -164.12 159.02 19.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.72 127.44 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -103.21 113.3 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.0 tp -107.68 140.98 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 p -69.98 151.26 96.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -26.1 27.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.3 6.25 37.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.585 ' CD1' HD13 ' A' ' 96' ' ' LEU . 27.3 m-85 56.64 27.56 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.0 t -90.13 -76.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 153.49 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 14.3 t -129.58 102.42 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.37 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.6 127.14 36.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.95 134.78 43.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.694 ' CZ3' HG22 ' A' ' 142' ' ' THR . 39.8 p-90 -130.42 142.24 50.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.694 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 81.2 p -124.2 170.33 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.451 HG23 ' NE2' ' A' ' 148' ' ' GLN . 65.1 p -97.66 170.41 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.6 tp -86.85 34.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 m -132.73 117.98 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.57 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.23 -45.8 83.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.6 tm0? -69.27 -46.02 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -60.17 -38.33 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.08 64.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -61.8 -50.48 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.718 ' HG2' HD13 ' A' ' 120' ' ' LEU . 15.7 mtp -62.93 -45.84 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -62.1 -37.32 84.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.14 90.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 120' ' ' LEU . 4.1 p -70.9 -40.78 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 61.4 tp -69.13 -45.25 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.14 -52.16 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.3 ppt_? -64.31 -17.24 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.7 m -101.38 13.69 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.79 -47.95 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -62.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -56.95 -42.78 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.7 mtm -57.37 -40.05 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -55.9 -45.4 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -66.07 -41.81 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 113' ' ' VAL . 46.1 mt -57.06 -34.63 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' A' ' 103' ' ' ALA . 28.9 mt -79.07 -32.99 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.3 mmt -50.42 -34.82 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.7 t -40.54 -44.46 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.408 ' OE1' HD22 ' A' ' 99' ' ' LEU . 29.3 mt-30 -51.66 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -85.82 44.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 55.1 m -115.47 -64.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 1.002 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -52.98 177.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -94.11 -69.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 142.69 51.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 173' ' ' LEU . 46.2 t -105.18 99.22 18.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.7 169.96 17.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.0 24.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.81 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -91.93 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.27 115.14 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.8 m-85 -82.07 129.6 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.15 137.59 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -75.37 128.18 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.6 mt-10 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -36.88 -52.63 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.1 -36.47 84.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.27 -48.07 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -32.42 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 133' ' ' PHE . 24.6 mt -64.81 -45.02 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.28 -44.28 72.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.76 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.0 tt -67.6 -40.87 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.96 -47.77 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.28 -39.52 71.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 136' ' ' CYS . 28.9 mt -64.88 -40.99 95.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.707 ' O ' HG22 ' A' ' 105' ' ' THR . 59.4 t80 -66.05 -40.97 91.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -73.02 -41.14 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.799 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.22 -41.68 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 179' ' ' ILE . 25.1 mt -64.13 -50.3 68.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.7 t -63.76 -32.24 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -39.81 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.77 -37.54 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -71.27 -1.82 14.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 65.0 m -90.24 -27.21 19.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.26 111.32 64.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.81 4.7 2.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -51.7 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.082 HG21 HD11 ' A' ' 166' ' ' LEU . 10.7 p -91.54 -54.63 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.662 ' N ' HG13 ' A' ' 113' ' ' VAL . 11.2 p -91.75 52.58 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.64 -47.35 82.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.64 -42.24 99.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.557 HD11 HG11 ' A' ' 122' ' ' VAL . 25.9 tp -69.03 -36.69 78.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 39.0 t80 -60.22 -44.0 95.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.65 -28.21 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 155' ' ' VAL . 30.0 mt -83.42 -16.71 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.0 t30 52.95 54.77 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 117' ' ' LEU . 8.8 p -85.7 147.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.2 117.83 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.92 144.13 29.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -111.18 -41.45 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 139' ' ' TYR . 13.4 pttp -166.32 160.08 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -128.56 128.71 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.7 t -109.76 113.21 25.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.536 HD22 HD22 ' A' ' 96' ' ' LEU . 19.1 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 p -69.73 153.24 95.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.73 23.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.67 -0.77 44.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' HD13 ' A' ' 96' ' ' LEU . 16.0 m-85 62.46 28.53 16.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -90.28 -77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.94 148.73 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 100' ' ' LEU . 5.6 t -123.61 101.79 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.81 138.95 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.87 123.0 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' HB2' ' CG ' ' A' ' 126' ' ' LYS . 5.8 m-85 -100.95 124.08 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.628 ' O ' HG23 ' A' ' 142' ' ' THR . 42.7 p-90 -121.54 143.26 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.508 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -37.42 134.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 140' ' ' TRP . 25.8 p -141.48 140.92 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.431 HG22 ' NE2' ' A' ' 148' ' ' GLN . 2.8 t -96.88 175.96 6.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.4 tt -84.01 23.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.11 98.36 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.18 -32.6 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.81 -46.14 86.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.431 ' NE2' HG22 ' A' ' 143' ' ' THR . 28.1 tt0 -71.57 -39.76 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 93.9 m-20 -65.86 -41.0 92.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.36 -49.77 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -67.59 -48.99 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 35.8 mtp -62.45 -44.17 97.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.8 tt0 -62.37 -40.05 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.69 92.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 120' ' ' LEU . 6.4 p -71.45 -41.75 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.3 tp -67.83 -41.22 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -61.79 -51.17 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -63.64 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -81.99 15.78 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.06 -54.3 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.87 -58.67 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -56.89 -44.31 82.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.7 mtm -57.38 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.83 -44.06 77.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -64.92 -42.24 94.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.082 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -58.13 -34.99 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.799 HD22 ' HB1' ' A' ' 103' ' ' ALA . 21.2 mt -76.33 -33.74 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 25.7 mtt -51.64 -33.58 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 22.5 m -40.69 -43.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.28 97.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.5 mp0 -57.27 -35.53 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.0 m -35.42 -54.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.45 127.68 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.61 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -127.46 131.98 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 80.4 t -110.95 99.36 42.41 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.7 Cg_endo -69.73 170.04 17.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 133.76 26.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.734 2.29 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 104' ' ' LEU . 63.9 mt -91.93 124.1 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.18 117.22 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.574 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 69.3 m-85 -81.9 132.57 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.73 142.45 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.88 127.93 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.75 -46.45 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -67.77 -40.22 84.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.89 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -72.62 -33.07 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.88 -44.55 89.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -71.46 -43.1 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.53 -44.28 82.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -65.8 -46.7 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.2 -47.41 86.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.88 60.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.418 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 23.2 mt -63.35 -50.07 71.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -67.95 -40.35 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.675 ' O ' HG22 ' A' ' 105' ' ' THR . 44.4 t80 -66.16 -42.61 88.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -72.87 -41.1 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.915 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.81 -41.97 74.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.072 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.721 HD21 HD13 ' A' ' 179' ' ' ILE . 23.4 mt -62.28 -50.32 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.4 t -64.6 -31.2 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.96 -35.56 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.37 -36.43 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -73.1 0.61 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.87 -25.26 21.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -117.81 116.12 36.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 111.177 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.72 3.52 2.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' H ' ' A' ' 114' ' ' SER . 6.3 p -91.94 -58.69 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 68.0 m -92.37 69.59 5.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -60.45 -46.5 89.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.33 -42.42 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 11.8 tp -60.38 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 57.7 t80 -56.09 -50.53 70.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.92 -40.9 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -76.05 -28.77 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 118' ' ' TYR . 2.9 t-20 64.62 54.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.9 150.25 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.44 121.47 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.8 146.51 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.4 t -111.75 -43.99 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -167.39 158.59 11.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.9 t -125.44 134.81 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' ARG . 7.6 p -112.89 118.75 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 96' ' ' LEU . 15.9 tp -110.55 141.45 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.4 p -69.57 152.82 96.16 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -25.88 28.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.17 2.25 40.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 58.1 25.73 12.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.9 t -90.27 -76.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.78 149.15 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.57 ' SG ' HD13 ' A' ' 100' ' ' LEU . 18.7 t -126.87 101.6 6.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 128' ' ' SER . 1.6 mpt_? -90.59 141.35 28.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.98 128.59 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.93 132.06 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.51 ' CH2' HG22 ' A' ' 142' ' ' THR . 32.6 p-90 -129.01 148.61 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -54.86 126.21 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.51 HG22 ' CH2' ' A' ' 140' ' ' TRP . 39.1 p -123.87 159.72 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.518 HG23 ' NE2' ' A' ' 148' ' ' GLN . 68.4 p -91.16 172.71 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.51 36.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -134.25 122.33 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.58 -44.32 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.518 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.2 tm0? -69.52 -44.9 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.0 -50.03 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -61.66 -50.38 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.557 ' HG2' HD13 ' A' ' 120' ' ' LEU . 28.1 mtp -61.82 -45.54 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.48 86.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 120' ' ' LEU . 5.4 p -71.08 -41.14 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 62.9 tp -69.28 -45.69 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.11 -52.28 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -16.16 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.2 m -101.67 17.07 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.53 -47.75 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.04 -44.22 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 178' ' ' PRO . 18.7 ttm180 -55.79 -45.9 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.86 -42.34 90.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 113' ' ' VAL . 35.3 mt -56.06 -34.87 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.915 HD22 ' HB1' ' A' ' 103' ' ' ALA . 51.0 mt -77.63 -36.36 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.48 -36.82 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 168' ' ' MET . 11.2 t -37.68 -44.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.4 OUTLIER -53.42 160.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.9 mp0 -116.24 -43.62 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.2 p -34.12 -64.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.658 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -49.54 163.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -106.57 -59.2 1.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -130.25 131.3 45.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 29.6 t -105.32 99.68 21.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.77 170.09 17.39 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.444 ' HA ' ' NE ' ' A' ' 164' ' ' ARG . 53.7 Cg_endo -69.79 133.84 26.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.721 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -92.06 128.93 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 63.2 t -125.89 115.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 84.9 m-85 -82.02 134.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 72.0 t -128.46 136.93 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -73.86 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.9 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.88 0.371 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.523 ' OD2' HD11 ' A' ' 93' ' ' LEU . 4.5 t70 -41.11 -43.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -65.29 -34.82 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.3 -47.74 66.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -72.98 -32.41 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' OD2' ' A' ' 89' ' ' ASP . 30.8 mt -65.68 -45.05 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -72.04 -42.36 66.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.92 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 129' ' ' LEU . 5.4 tt -67.31 -47.06 71.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -47.03 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.54 59.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.597 HD13 ' HG ' ' A' ' 173' ' ' LEU . 22.4 mt -57.06 -49.42 75.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -65.12 -37.68 88.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -65.79 -45.0 84.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.24 -43.39 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.87 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 124' ' ' LEU . 31.0 mt -67.78 -50.02 59.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 101' ' ' TYR . 13.1 t -67.78 -23.21 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.27 -41.14 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.15 -35.1 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -72.85 1.57 8.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.8 m -97.38 -10.84 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 113.1 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.169 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.756 2.304 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -57.26 -51.44 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 166' ' ' LEU . 6.9 p -91.18 -58.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.673 ' H ' HG13 ' A' ' 113' ' ' VAL . 55.4 m -92.46 69.9 5.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.98 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -64.29 -41.7 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 156' ' ' LEU . 13.8 tp -61.66 -51.17 69.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 42.8 t80 -52.98 -47.33 68.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -23.25 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 155' ' ' VAL . 13.9 mt -90.12 -22.43 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.9 m120 62.11 54.42 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.96 145.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.05 116.9 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.2 mt -50.93 159.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -130.71 -36.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -166.28 152.82 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.5 t -127.36 127.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 t -111.25 116.17 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 96' ' ' LEU . 21.8 tp -108.93 141.33 41.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 69.5 p -69.59 152.2 96.34 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.49 23.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.279 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -81.64 1.7 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 92' ' ' ARG . 8.9 m-85 59.75 26.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 4.8 m -90.2 -76.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.32 21.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 100' ' ' LEU . 11.6 t -126.42 101.82 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.14 140.3 31.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.99 122.62 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -100.99 130.43 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.568 ' CZ3' HG22 ' A' ' 142' ' ' THR . 12.0 p-90 -122.75 159.26 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -66.69 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.568 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 62.8 p -120.88 172.28 8.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.581 HG23 ' NE2' ' A' ' 148' ' ' GLN . 77.6 p -102.18 175.48 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -87.94 30.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -127.98 128.74 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.02 87.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -61.81 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.581 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.4 tm0? -68.47 -37.19 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.0 -38.04 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.98 -50.02 63.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.2 t-160 -65.34 -50.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.482 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 48.1 mtp -59.04 -46.21 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.53 -36.82 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.79 77.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 120' ' ' LEU . 7.1 p -71.25 -42.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.541 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 49.9 tp -68.98 -40.04 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.17 -52.06 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.3 ptp85 -65.62 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -95.09 8.36 43.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.06 -47.56 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.62 -60.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -57.49 -43.09 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.1 mtm -57.0 -42.32 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -56.0 -44.77 78.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.9 -42.05 90.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 113' ' ' VAL . 52.4 mt -57.19 -34.67 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.87 HD22 ' HB1' ' A' ' 103' ' ' ALA . 17.2 mt -75.07 -39.72 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' SER . 3.8 mtt -43.46 -35.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' MET . 33.1 t -37.83 -50.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.69 127.44 32.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -86.58 -28.3 23.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 19.9 p -49.21 -19.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.597 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -95.05 129.12 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -76.04 -69.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.32 128.64 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.435 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 48.2 t -108.2 99.42 31.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.443 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.9 Cg_endo -69.73 170.09 17.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.517 HD13 HD21 ' A' ' 104' ' ' LEU . 61.5 mt -91.98 136.09 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.42 117.9 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 64.1 m-85 -82.15 131.24 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.69 142.04 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.52 128.87 37.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.1 pp20? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -38.84 -49.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -65.61 -38.86 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.5 -46.02 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -69.2 -32.27 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.9 mt -64.68 -45.15 87.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -72.09 -44.86 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.95 74.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -63.64 -46.37 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.26 -47.99 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.03 -35.81 79.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.21 -48.28 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 96' ' ' LEU . 39.7 mt -66.55 -39.76 88.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 105' ' ' THR . 54.8 t80 -66.17 -42.57 88.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -70.65 -42.26 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.95 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.31 -40.12 74.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -63.04 -50.49 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.0 -32.46 74.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.22 -36.66 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD13 ' HG2' ' A' ' 163' ' ' MET . 21.8 mt -68.59 -38.88 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 4.1 mp -71.94 1.22 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 78.9 m -90.99 -27.69 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -115.91 118.65 38.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.73 -51.66 37.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 166' ' ' LEU . 5.8 p -91.53 -59.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.684 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.2 m -92.69 69.3 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -59.05 -46.93 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.72 -42.02 91.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 156' ' ' LEU . 14.2 tp -62.48 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.514 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 78.2 t80 -60.32 -46.33 90.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.7 -28.73 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 155' ' ' VAL . 17.7 mt -83.3 -21.75 33.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.62 36.44 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.6 145.95 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.7 124.63 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.1 149.55 47.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 t -115.96 -40.39 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 159.56 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -126.58 130.67 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -110.08 116.05 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.3 tp -108.67 141.2 40.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.4 p -69.66 154.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.712 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.21 14.95 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 129' ' ' LEU . 20.0 m-85 47.18 30.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -90.36 -76.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.61 150.33 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.4 t -123.29 101.69 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -85.83 138.69 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.22 123.38 28.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -101.01 129.63 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 142' ' ' THR . 13.2 p-90 -119.57 143.89 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -49.77 119.56 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 140' ' ' TRP . 34.9 p -124.96 163.62 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.7 p -102.49 -178.93 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -87.03 36.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 m -134.22 121.92 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.47 -28.22 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.38 -48.03 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.4 pp0? -70.72 -37.5 73.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 15.3 m-80 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.8 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.5 t60 -64.11 -50.63 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.62 -44.07 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 26.4 tt0 -62.6 -38.97 92.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.76 86.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.45 -41.77 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 117' ' ' LEU . 54.3 tp -67.96 -43.54 78.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -60.03 -50.32 74.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 159' ' ' SER . 2.7 ptp180 -60.41 -30.14 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -89.81 17.3 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.01 -45.69 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -57.11 -42.5 80.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . 0.443 ' HG2' HD13 ' A' ' 107' ' ' LEU . 5.0 mtm -56.97 -43.96 82.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -56.32 -46.11 80.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -66.08 -42.82 88.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.712 HD11 HG21 ' A' ' 113' ' ' VAL . 36.9 mt -55.63 -34.92 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.95 HD22 ' HB1' ' A' ' 103' ' ' ALA . 14.1 mt -75.85 -39.79 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 14.2 mtt -40.94 -31.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 t -39.79 -52.15 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -43.99 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 172' ' ' THR . 13.6 mm100 -124.45 -47.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 171' ' ' GLN . 45.8 p -36.86 -47.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.1 pt? -64.24 156.85 27.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -88.9 -72.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -122.03 163.41 19.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 173' ' ' LEU . 61.6 t -124.65 99.47 35.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.78 169.83 18.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.71 23.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.512 HD13 HD21 ' A' ' 104' ' ' LEU . 54.0 mt -91.92 126.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 55.9 t -124.34 115.85 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.8 m-85 -81.88 124.45 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 73.6 t -121.35 144.09 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.83 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 18.7 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -41.27 -46.23 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.52 -37.35 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.73 -46.93 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.478 ' HD3' ' NE ' ' A' ' 174' ' ' ARG . 1.5 tpm_? -70.71 -32.52 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -65.18 -45.08 86.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -72.05 -44.85 62.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.14 92.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.9 tt -66.14 -47.12 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -59.5 -48.28 82.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -40.56 67.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 173' ' ' LEU . 28.5 mt -60.67 -45.67 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 96' ' ' LEU . 25.0 mt -66.52 -38.34 86.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.609 ' O ' HG22 ' A' ' 105' ' ' THR . 80.6 t80 -66.23 -44.08 84.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -73.35 -40.56 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.873 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.78 -42.64 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 179' ' ' ILE . 57.5 mt -64.9 -49.94 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.2 t -63.99 -28.4 69.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.5 -42.51 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.66 -35.84 81.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.2 mp -75.4 -1.32 23.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -93.33 -18.81 22.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 112' ' ' GLU . 3.0 m -122.15 117.63 29.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 110' ' ' THR . 3.9 mm-40 -53.54 -53.4 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 166' ' ' LEU . 8.1 p -93.46 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -93.46 69.55 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.67 -46.58 89.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.45 -42.4 95.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 122' ' ' VAL . 20.9 tp -63.33 -40.65 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 82.8 t80 -61.0 -45.98 92.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.88 -33.72 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 152' ' ' MET . 10.9 mt -79.38 -24.43 42.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 61.48 53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -80.74 147.93 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -134.94 117.04 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.6 mt -55.97 159.86 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.7 p -129.21 -38.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -165.37 154.49 12.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.89 126.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -106.89 115.62 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 133' ' ' PHE . 16.2 tp -108.65 141.0 41.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 22.5 p -69.8 154.51 94.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.06 11.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -82.92 13.28 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 50.27 31.27 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.7 p -90.18 -77.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.82 149.25 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 100' ' ' LEU . 6.9 t -122.86 101.77 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.42 136.79 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.62 123.02 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -101.1 129.01 46.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 142' ' ' THR . 19.8 p-90 -121.71 142.29 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -47.95 122.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.413 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 1.1 p -130.78 172.34 12.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 52.8 p -104.1 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.7 tt -90.53 32.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -127.59 122.44 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.61 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.25 -48.0 77.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 27.1 tp60 -65.97 -36.93 84.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 44.9 m-20 -72.36 -36.63 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.07 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.442 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.5 t-160 -63.48 -49.77 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.697 ' HG2' HD13 ' A' ' 120' ' ' LEU . 17.4 mtp -64.99 -42.47 94.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 23.9 tt0 -62.47 -40.49 96.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.75 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.37 -42.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.545 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 57.9 tp -67.17 -40.75 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -61.38 -52.02 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -61.87 -21.16 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -96.93 17.99 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.17 -56.08 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.67 -57.9 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -56.82 -44.99 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.3 mtm -56.99 -44.83 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -55.76 -45.65 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -66.25 -41.87 89.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 113' ' ' VAL . 30.2 mt -56.14 -34.7 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.873 HD22 ' HB1' ' A' ' 103' ' ' ALA . 49.0 mt -79.49 -34.26 41.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 169' ' ' SER . 8.3 mtt -46.91 -39.05 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 168' ' ' MET . 67.9 m -37.0 -50.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.456 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -57.06 100.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 172' ' ' THR . 10.2 tp60 -53.31 -37.99 62.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 171' ' ' GLN . 19.4 p -36.39 -37.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 99' ' ' LEU . 3.4 mm? -85.21 114.83 22.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.478 ' NE ' ' HD3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -88.79 -30.75 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 174' ' ' ARG . 37.1 t30 -134.24 108.84 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.436 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 46.9 t -111.74 99.4 44.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.2 Cg_endo -69.75 170.1 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.86 29.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.534 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -92.57 130.91 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.03 118.82 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.545 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 58.9 m-85 -82.34 122.86 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.84 139.8 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.99 129.39 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.0 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -40.75 -44.82 2.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -67.84 -33.15 74.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.91 -47.98 64.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -73.0 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 129' ' ' LEU . 28.3 mt -65.59 -45.19 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -72.07 -40.93 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.56 -45.84 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -66.52 -47.06 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.76 -45.88 90.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.98 -35.73 61.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.1 mt -66.88 -49.12 66.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 96' ' ' LEU . 24.7 mt -64.0 -38.37 90.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' THR . 59.8 t80 -67.17 -40.26 86.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -74.15 -41.57 61.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.11 -42.81 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.776 HD21 HD13 ' A' ' 179' ' ' ILE . 36.7 mt -63.12 -50.18 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.88 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.67 -38.64 84.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.15 -39.48 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -71.79 -0.64 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 62.2 m -91.8 -24.3 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.23 117.24 36.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.85 3.31 2.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.09 -52.59 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.131 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.64 -56.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.68 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -92.87 66.52 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -60.32 -47.07 87.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.65 -42.13 98.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.661 HD11 HD13 ' A' ' 156' ' ' LEU . 14.0 tp -63.07 -47.64 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 65.1 t80 -53.47 -51.74 61.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -42.18 -36.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 155' ' ' VAL . 17.9 mt -71.87 -35.18 69.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 118' ' ' TYR . 26.6 t30 74.24 47.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 152' ' ' MET . 12.7 p -79.89 152.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -140.81 113.74 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.607 HD12 ' HB ' ' A' ' 105' ' ' THR . 40.4 mt -50.12 149.85 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -123.41 -40.46 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 16.5 ttpt -166.02 148.4 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.472 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 79.1 t -128.73 127.55 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -108.95 125.11 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.8 tp -110.48 141.53 43.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.3 p -69.41 155.94 92.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.28 20.71 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.86 7.79 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.656 ' CD1' HD21 ' A' ' 129' ' ' LEU . 29.1 m-85 53.91 28.97 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 31.1 t -90.29 -75.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.5 146.8 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 37.9 t -125.06 101.77 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -85.15 141.24 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.03 123.62 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -100.84 133.82 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.615 ' CZ3' HG22 ' A' ' 142' ' ' THR . 35.2 p-90 -127.42 150.68 49.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -57.64 121.24 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.615 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 82.5 p -118.13 166.29 12.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.5 p -92.64 179.18 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -93.6 35.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -138.93 121.19 15.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.02 87.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.0 -48.16 82.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.47 88.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.53 -35.98 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.8 85.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 155' ' ' VAL . 6.6 t60 -60.29 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.532 ' HG2' HD22 ' A' ' 120' ' ' LEU . 65.9 mtp -65.16 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.64 -43.12 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.24 72.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 151' ' ' HIS . 3.9 p -70.76 -39.98 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.661 HD13 HD11 ' A' ' 117' ' ' LEU . 55.0 tp -69.0 -44.38 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.16 -52.35 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -17.73 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.36 13.35 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.82 -41.86 13.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.88 -60.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -56.92 -42.86 80.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 10.4 mtm -57.23 -44.57 83.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.93 -46.15 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.24 -41.79 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.131 HD11 HG21 ' A' ' 113' ' ' VAL . 50.4 mt -56.45 -34.66 67.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.892 HD22 ' HB1' ' A' ' 103' ' ' ALA . 52.4 mt -80.0 -32.54 39.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 169' ' ' SER . 7.1 mtt -49.75 -39.1 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' MET . 1.5 t -36.92 -39.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -51.41 171.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.3 mt-30 -125.77 -57.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 171' ' ' GLN . 29.7 p -34.48 -55.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 1.093 HD23 HG22 ' A' ' 176' ' ' VAL . 9.4 tp -49.84 127.49 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.59 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.12 139.22 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 1.093 HG22 HD23 ' A' ' 173' ' ' LEU . 57.5 t -107.83 99.23 28.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.448 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.74 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.73 26.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.776 HD13 HD21 ' A' ' 104' ' ' LEU . 62.8 mt -91.91 127.32 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.16 115.2 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.568 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 53.6 m-85 -81.99 126.9 32.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.41 141.45 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.04 128.01 34.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.7 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.58 -48.64 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.57 -34.46 78.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -69.68 -48.01 61.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.44 -33.35 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.1 mt -65.44 -44.91 85.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -72.13 -42.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.43 -45.73 82.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.3 tt -66.64 -46.44 75.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.69 -47.98 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.07 -39.97 72.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 25.9 mt -60.12 -45.51 92.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.66 -37.89 83.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.717 ' O ' HG22 ' A' ' 105' ' ' THR . 37.1 t80 -66.47 -41.96 88.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -42.65 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.883 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.08 -42.18 76.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.44 -49.9 71.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.8 t -67.48 -25.74 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.28 -38.03 71.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.06 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.0 mp -69.78 -1.05 8.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -89.88 -30.92 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.2 114.75 50.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.3 Cg_endo -69.74 -0.8 7.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.43 -51.9 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 166' ' ' LEU . 10.3 p -91.82 -54.94 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.666 ' N ' HG13 ' A' ' 113' ' ' VAL . 35.4 p -91.87 67.22 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.16 -47.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.47 -42.24 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -60.55 -51.28 70.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 51.9 t80 -54.19 -53.15 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -44.42 -31.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 155' ' ' VAL . 15.5 mt -79.05 -32.22 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' TYR . 16.8 t30 73.57 54.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.426 HG11 HD11 ' A' ' 117' ' ' LEU . 7.5 p -88.82 153.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 122' ' ' VAL . 9.6 mp0 -143.69 126.48 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.1 mt -61.37 156.83 18.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 p -124.29 -36.06 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 27.0 ttmt -174.18 147.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 70.5 t -117.05 130.02 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.1 t -111.12 114.45 27.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.497 HD22 HD22 ' A' ' 96' ' ' LEU . 16.1 tp -109.49 141.2 42.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.9 p -69.84 154.05 95.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.55 30.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.09 0.51 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 96' ' ' LEU . 25.2 m-85 59.82 25.88 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 49.8 m -90.13 -75.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.38 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 30.1 t -126.52 101.89 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.12 141.53 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.04 124.77 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.24 133.53 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CH2' HG22 ' A' ' 142' ' ' THR . 38.6 p-90 -128.66 142.12 51.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -51.9 117.89 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CH2' ' A' ' 140' ' ' TRP . 15.9 p -111.09 174.91 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.469 HG23 ' NE2' ' A' ' 148' ' ' GLN . 38.5 p -113.14 162.44 15.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.92 36.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.9 m -132.71 114.74 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.18 -38.33 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.06 -44.56 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.3 tm0? -72.07 -40.2 68.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 8.4 m-20 -67.4 -36.0 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.63 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.441 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -67.04 -49.83 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 18.8 mtp -61.87 -45.79 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 19.7 tt0 -62.0 -39.41 92.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.89 93.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.575 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.67 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.5 tp -65.7 -42.58 91.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.97 -47.18 85.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -71.24 -19.73 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.1 m -95.2 17.19 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 181' ' ' PHE . . . -88.32 -56.94 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.68 -57.24 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -56.76 -45.19 82.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.32 -40.25 77.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 13.7 ttp-105 -56.59 -46.03 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -65.85 -41.98 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -56.89 -34.85 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.883 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.2 mt -76.16 -37.71 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 19.2 mtt -43.16 -28.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.9 t -46.37 -42.01 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -45.54 171.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 32.7 tt0 -125.81 -57.03 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.1 m -35.49 -58.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 175' ' ' ASN . 2.3 tt -46.53 143.51 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.624 ' N ' HD23 ' A' ' 173' ' ' LEU . 10.8 ptm180 -94.89 -49.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.691 ' O ' HD21 ' A' ' 173' ' ' LEU . 7.1 t-20 -138.72 128.82 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.664 HG22 HD13 ' A' ' 173' ' ' LEU . 52.4 t -101.74 99.4 11.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.7 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.22 25.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.336 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.817 HD13 HD21 ' A' ' 104' ' ' LEU . 62.6 mt -92.05 129.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.47 118.89 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -81.97 127.82 33.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.5 t -130.5 143.96 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -71.5 129.05 37.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 91' ' ' ALA . 10.9 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 5.9 p-10 -37.64 -43.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.7 -40.28 88.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.51 -45.68 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -72.46 -35.53 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 133' ' ' PHE . 30.8 mt -65.95 -45.17 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.08 -39.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -67.94 -44.39 76.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 96' ' ' LEU . 4.3 tt -67.94 -43.42 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.61 -46.22 73.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.98 -39.14 74.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.523 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.6 mt -62.54 -46.83 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 96' ' ' LEU . 33.4 mt -65.37 -37.73 87.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.05 -44.49 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.62 -47.15 67.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.897 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.71 -37.74 88.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 124' ' ' LEU . 30.0 mt -66.32 -49.51 66.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -70.42 -19.68 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.49 -43.22 50.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.31 -35.85 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.9 mp -73.79 -3.79 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 43.9 m -92.0 -16.94 25.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -122.17 117.92 29.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.507 ' HB3' ' CD2' ' A' ' 118' ' ' TYR . 54.4 Cg_endo -69.67 2.43 3.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -56.22 -50.89 69.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -86.56 -68.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.75 ' H ' HG13 ' A' ' 113' ' ' VAL . 3.1 m -90.79 76.49 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.1 -47.31 85.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.41 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 156' ' ' LEU . 27.7 tp -62.05 -39.09 91.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 111' ' ' PRO . 57.2 t80 -65.61 -43.77 88.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -52.88 -18.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 155' ' ' VAL . 29.4 mt -90.08 -23.36 21.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 64.87 45.79 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.44 144.07 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.48 125.7 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.8 mt -65.98 149.97 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 t -119.35 -32.57 4.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -173.79 158.05 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.92 133.24 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -110.95 113.66 26.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 133' ' ' PHE . 20.0 tp -106.41 141.18 38.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 135' ' ' ALA . 43.4 p -69.79 151.53 96.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.703 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.11 30.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -86.84 4.06 42.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 93' ' ' LEU . 3.7 m-85 57.01 25.14 10.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -75.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.44 149.33 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.6 t -123.97 101.86 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -86.52 140.11 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.46 128.32 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.19 134.84 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.686 ' CZ3' HG22 ' A' ' 142' ' ' THR . 24.5 p-90 -129.26 142.16 50.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -51.39 125.66 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.686 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 50.2 p -128.35 165.96 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.44 HG23 ' NE2' ' A' ' 148' ' ' GLN . 2.9 p -97.42 -177.49 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.38 5.85 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 107.14 19.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.14 -24.09 16.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.13 -46.73 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.44 ' NE2' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER -70.35 -37.7 74.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -62.68 -40.7 97.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.66 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.444 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.3 t60 -64.5 -48.92 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.421 ' HG2' HD13 ' A' ' 120' ' ' LEU . 36.4 mtp -63.77 -44.58 92.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -62.21 -39.16 91.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.36 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 120' ' ' LEU . 4.8 p -71.15 -43.69 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.9 tp -66.88 -40.27 87.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.53 -51.46 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -66.99 -24.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.9 m -90.15 9.04 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -85.4 -48.88 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.33 -59.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -57.13 -41.33 78.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -57.0 -41.71 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -56.3 -45.86 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.17 -34.95 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.897 HD22 ' HB1' ' A' ' 103' ' ' ALA . 16.5 mt -75.53 -34.61 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.56 -32.06 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 23.0 t -41.41 -35.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.98 170.66 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.9 tt0 -118.51 -50.32 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.7 m -34.84 -58.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.551 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -53.91 122.91 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.61 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -115.19 124.46 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 49.7 t -105.03 99.56 20.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.8 169.89 17.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.252 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 134.27 27.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.684 HD13 HD21 ' A' ' 104' ' ' LEU . 63.1 mt -91.9 131.0 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.73 116.4 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.1 m-85 -82.02 128.78 34.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.1 t -125.03 142.6 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.15 128.66 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.4 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.891 0.376 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -43.26 -56.96 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -56.76 -39.3 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.98 97.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.46 -38.61 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 133' ' ' PHE . 41.0 mt -65.61 -45.14 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -39.96 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -47.36 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 100' ' ' LEU . 5.3 tt -65.12 -47.03 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -59.38 -48.04 83.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.82 65.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.9 mt -64.94 -47.71 76.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 96' ' ' LEU . 39.9 mt -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.867 ' O ' HG22 ' A' ' 105' ' ' THR . 44.6 t80 -65.39 -38.36 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -42.32 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.53 -39.61 77.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.632 HD21 HD13 ' A' ' 179' ' ' ILE . 27.8 mt -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.55 -28.21 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.07 -37.58 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.17 -37.57 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -72.29 1.68 7.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 90.6 m -93.3 -33.45 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.54 116.18 59.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.7 2.43 3.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.82 -52.52 60.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HD11 ' A' ' 166' ' ' LEU . 9.2 p -92.49 -56.15 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.0 p -92.6 71.13 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.99 -47.84 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.87 -42.04 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.6 tp -60.47 -46.55 89.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.33 -49.95 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -49.2 -22.23 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 155' ' ' VAL . 14.0 mt -89.81 -25.72 20.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 31.0 m120 63.67 47.35 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.469 HG13 HD23 ' A' ' 108' ' ' LEU . 3.5 p -73.29 141.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 119.27 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.86 156.83 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -122.69 -31.94 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -174.33 155.07 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.06 132.53 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -109.26 113.18 25.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 133' ' ' PHE . 12.7 tp -107.25 141.07 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 38.3 p -69.92 153.79 95.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.26 22.21 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.02 16.74 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 129' ' ' LEU . 9.3 m-85 44.52 27.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.0 t -90.36 -75.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.39 150.95 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.45 102.2 7.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.32 138.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -127.47 126.21 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.01 134.53 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CE3' ' O ' ' A' ' 141' ' ' LYS . 51.1 p-90 -135.59 142.09 45.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.553 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 31.1 mttt -38.73 131.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -134.19 138.12 44.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -90.7 167.05 12.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.1 mt -83.43 26.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.9 m -118.24 107.84 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.0 67.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.03 -45.25 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -68.69 -43.97 74.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.58 -36.65 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.12 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -60.49 -51.4 69.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 120' ' ' LEU . 11.6 mtp -65.36 -44.36 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.21 -38.59 89.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.62 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 120' ' ' LEU . 5.8 p -71.52 -41.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 59.9 tp -68.76 -40.83 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.93 -52.06 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.2 OUTLIER -68.54 -17.75 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -98.5 15.68 24.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.44 -57.73 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.71 -56.72 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.63 -44.11 80.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.0 mtm -58.06 -44.66 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.2 ttm105 -55.89 -45.55 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -65.51 -42.61 91.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.912 HD11 HG21 ' A' ' 113' ' ' VAL . 50.9 mt -56.08 -35.12 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.8 mt -75.41 -39.25 59.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 20.9 mtt -43.21 -34.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.0 t -40.98 -49.04 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -48.34 158.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 172' ' ' THR . 2.7 pm0 -122.52 -29.04 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 94.3 m -47.22 -58.77 3.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.775 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -54.66 177.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.625 ' N ' HD22 ' A' ' 173' ' ' LEU . 16.3 mmt180 -113.76 -69.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -122.19 133.78 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.429 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.9 t -108.02 99.67 32.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.4 Cg_endo -69.76 170.06 17.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 133.44 25.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.632 HD13 HD21 ' A' ' 104' ' ' LEU . 56.4 mt -91.92 129.08 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 84.4 t -125.19 115.85 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.544 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.6 m-85 -81.87 128.07 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 50.8 t -121.98 141.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.05 130.86 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.4 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' ALA . 66.8 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -40.53 -45.46 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -66.8 -32.98 74.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.71 -47.82 65.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -31.98 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.7 mt -65.53 -45.13 84.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -71.8 -41.79 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.4 tt -67.74 -45.61 74.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.61 -48.06 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.22 -40.15 71.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.28 -45.79 93.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 30.5 mt -66.47 -37.93 86.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.599 ' O ' HG22 ' A' ' 105' ' ' THR . 67.0 t80 -66.32 -42.87 87.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -70.66 -45.52 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.839 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.17 -37.69 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.87 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.28 -50.49 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -67.26 -26.8 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.59 -33.35 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 104' ' ' LEU . 7.9 mp -75.37 1.68 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -95.98 -20.07 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 m -117.55 117.39 36.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.534 0.683 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.77 -19.07 36.57 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tm-20 -37.85 -52.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.004 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.63 -56.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 53.7 p -92.67 67.01 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.17 -47.38 86.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -41.97 93.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 156' ' ' LEU . 8.5 tp -63.57 -44.81 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.528 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.0 -43.33 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.34 -34.25 60.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.1 mt -81.43 -8.76 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.7 m120 45.16 51.14 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.72 149.89 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -137.58 123.48 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.7 mt -64.57 160.31 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.1 p -132.96 -40.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 127' ' ' VAL . 0.8 OUTLIER -159.87 152.22 20.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.432 ' N ' ' HD3' ' A' ' 126' ' ' LYS . 72.4 t -126.28 129.78 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.5 t -107.59 117.75 34.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 133' ' ' PHE . 18.8 tp -109.48 141.32 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.5 p -69.53 153.57 95.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -29.2 23.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -86.5 6.44 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' HD21 ' A' ' 129' ' ' LEU . 18.4 m-85 56.06 28.22 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 42.3 t -90.2 -76.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.53 146.63 23.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.3 t -120.3 101.85 8.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.5 139.72 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.52 125.39 30.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -100.87 129.58 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 142' ' ' THR . 25.4 p-90 -125.76 142.3 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -52.21 128.52 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.574 ' CG2' ' CH2' ' A' ' 140' ' ' TRP . 1.0 OUTLIER -134.98 173.91 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.0 p -95.82 152.86 18.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.22 -10.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.4 m -89.3 121.63 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.4 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.69 -48.2 75.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.476 ' NE2' ' HG3' ' A' ' 152' ' ' MET . 39.5 tp60 -63.27 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -65.35 -37.34 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.66 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.2 t60 -61.22 -51.17 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.782 ' HG2' HD13 ' A' ' 120' ' ' LEU . 16.7 mtp -64.49 -40.84 96.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.407 ' C ' ' OE2' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.48 -40.96 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.02 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 120' ' ' LEU . 5.5 p -71.26 -43.06 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 59.2 tp -66.62 -40.18 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.03 -48.93 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -66.84 -24.21 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -93.33 16.62 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.25 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.96 -59.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -56.82 -42.18 79.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.47 -44.63 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 10.9 ttp-105 -55.78 -44.62 77.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -66.09 -41.84 90.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 113' ' ' VAL . 42.4 mt -57.22 -34.62 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.839 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.1 mt -76.57 -37.35 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.31 -35.8 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 168' ' ' MET . 74.0 m -37.88 -49.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -59.06 131.75 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 172' ' ' THR . 2.7 mp0 -84.83 -44.2 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.2 p -36.08 -53.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 176' ' ' VAL . 3.3 mp -56.85 116.62 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -68.15 -67.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.13 125.86 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.401 HG22 HD23 ' A' ' 173' ' ' LEU . 77.2 t -105.71 99.16 20.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.621 0.724 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.409 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.33 27.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.87 HD13 HD21 ' A' ' 104' ' ' LEU . 61.1 mt -91.86 130.19 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.3 114.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.96 132.04 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.29 140.66 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -71.97 129.26 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.0 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.5 pp20? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLU . 31.0 t70 -34.42 -53.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 3.7 t60 -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.68 -44.04 97.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -70.51 -36.31 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 19.5 mt -62.31 -45.21 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -70.03 -45.1 67.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -63.74 -35.07 79.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -70.42 -37.67 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . -75.07 -37.57 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 95' ' ' ALA . 25.6 mt -61.63 -50.01 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 21.5 mt -68.14 -38.57 82.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.765 ' O ' HG22 ' A' ' 105' ' ' THR . 57.3 t80 -66.11 -39.13 89.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -74.09 -41.41 61.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.41 -42.07 72.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 124' ' ' LEU . 33.4 mt -62.36 -50.38 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.8 t -63.64 -34.0 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.94 -41.85 99.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.82 -42.67 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -65.28 -4.91 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.69 -28.03 19.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -112.27 111.99 52.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.637 0.732 . . . . 0.0 111.098 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.77 1.57 4.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.401 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.48 -51.8 65.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 166' ' ' LEU . 10.4 p -91.8 -54.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.659 ' N ' HG13 ' A' ' 113' ' ' VAL . 55.0 p -91.6 65.74 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.08 -47.11 87.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.69 -42.01 91.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -60.86 -51.23 70.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 45.1 t80 -53.84 -50.06 67.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -43.47 -35.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 152' ' ' MET . 12.4 mt -80.7 -34.65 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.59 54.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.98 150.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.77 122.62 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.3 mt -61.49 151.2 33.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.3 p -119.4 -42.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -165.84 157.47 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.23 128.02 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 t -106.94 116.2 31.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 96' ' ' LEU . 16.4 tp -108.32 140.29 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.5 p -70.74 152.26 95.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -33.35 16.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.404 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.59 0.57 25.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 7.2 m-85 60.98 25.74 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 59.3 m -90.16 -76.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 149.63 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.42 101.93 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.88 140.03 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.06 124.48 26.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.94 133.09 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.532 ' CH2' HG22 ' A' ' 142' ' ' THR . 28.7 p-90 -127.01 144.24 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -49.66 127.49 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.8 p -132.13 168.52 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.579 HG23 ' OE1' ' A' ' 148' ' ' GLN . 82.7 p -89.93 178.48 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -90.8 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -131.3 132.99 44.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.33 75.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.37 -48.08 81.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.579 ' OE1' HG23 ' A' ' 143' ' ' THR . 0.9 OUTLIER -65.65 -45.78 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 10.0 m-20 -61.59 -35.92 79.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.09 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.82 -51.1 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 120' ' ' LEU . 12.9 mtp -65.12 -44.89 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 29.5 tt0 -62.15 -37.05 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.43 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.8 p -71.19 -41.37 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 117' ' ' LEU . 55.7 tp -69.12 -42.71 75.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.93 -52.04 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -16.88 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.5 m -99.14 9.75 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.02 -45.04 13.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.08 -60.86 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.01 -41.03 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.8 mtm -56.96 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 9.4 ttp-105 -55.93 -46.0 78.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.7 -42.09 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 113' ' ' VAL . 26.3 mt -57.3 -36.02 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 103' ' ' ALA . 31.3 mt -78.94 -28.51 43.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -35.79 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 16.1 t -38.52 -35.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -72.15 93.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.3 pp0? -47.86 -40.04 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 37.1 m -34.27 -60.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.94 128.24 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -72.25 -67.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -127.07 124.37 39.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.94 99.18 17.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.8 170.2 17.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 104' ' ' LEU . 57.0 mt -91.92 127.96 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.82 115.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 62.2 m-85 -81.78 126.62 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.12 144.05 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 77.2 mt-30 -71.03 127.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 2.9 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 91' ' ' ALA . 21.7 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 18.1 m-20 -37.44 -48.77 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -65.12 -36.96 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.26 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -72.8 -33.64 66.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 31.7 mt -65.34 -45.13 85.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -72.04 -43.39 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.5 -43.69 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.6 -46.91 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 93' ' ' LEU . 39.8 m-20 -63.23 -45.14 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.26 -36.98 55.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 173' ' ' LEU . 27.7 mt -64.87 -49.12 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 96' ' ' LEU . 29.5 mt -67.3 -37.35 83.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.581 ' O ' HG22 ' A' ' 105' ' ' THR . 43.6 t80 -64.86 -42.75 94.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -74.86 -38.88 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.785 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.47 -43.09 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 179' ' ' ILE . 35.9 mt -64.33 -50.45 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.3 t -61.22 -32.21 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 -41.0 84.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.73 -41.74 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 104' ' ' LEU . 6.1 mp -70.3 -5.87 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.04 -23.54 21.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -115.89 115.85 40.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.79 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 25.4 pt-20 -53.99 -51.7 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 114' ' ' SER . 6.5 p -91.47 -58.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.685 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.4 m -92.48 73.63 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -60.59 -46.87 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.555 ' OE1' HG21 ' A' ' 155' ' ' VAL . 2.4 tm-20 -66.21 -42.39 88.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 156' ' ' LEU . 12.5 tp -58.44 -44.92 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 60.9 t80 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -43.36 -34.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.7 -33.04 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 118' ' ' TYR . 4.1 t30 73.28 54.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 117' ' ' LEU . 2.7 p -88.6 149.29 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -139.81 126.69 20.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.82 157.55 27.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 p -131.33 -37.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 39.4 tttt -165.58 153.23 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 90.3 t -127.13 137.71 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 137' ' ' ARG . 8.1 t -116.4 111.66 20.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -104.08 141.46 36.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 135' ' ' ALA . 78.5 p -69.4 152.46 96.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.52 26.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -86.12 5.91 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 129' ' ' LEU . 12.1 m-85 55.56 26.48 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 30.1 t -90.25 -75.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.49 141.35 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.6 t -119.81 101.53 7.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' SER . 20.1 mtp180 -96.62 138.5 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.43 136.97 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.93 133.08 45.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.797 ' CZ3' HG22 ' A' ' 142' ' ' THR . 25.4 p-90 -120.93 147.0 46.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.61 119.17 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.797 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 72.7 p -123.25 170.18 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.4 p -102.27 -176.39 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 tp -91.34 35.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -133.16 123.26 25.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.28 -27.68 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.5 -47.81 82.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.2 pp0? -69.73 -38.09 76.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 17.6 m-80 -62.05 -38.85 90.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.96 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.46 -50.07 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.4 mtp -64.41 -44.39 91.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.4 tt0 -62.47 -38.75 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.74 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.555 HG21 ' OE1' ' A' ' 116' ' ' GLU . 6.8 p -71.56 -40.95 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.8 tp -69.23 -43.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.05 -52.32 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -65.64 -17.49 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.89 8.89 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.01 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -43.17 -61.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.38 -41.73 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.6 mtm -57.16 -43.73 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.9 ttp-105 -55.82 -46.01 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -63.78 -41.92 97.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -57.87 -35.47 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.785 HD22 ' HB1' ' A' ' 103' ' ' ALA . 24.3 mt -75.18 -35.29 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.3 mtt -45.93 -35.93 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 3.5 t -37.16 -48.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.27 115.97 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 172' ' ' THR . 47.9 tt0 -73.4 -40.04 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.782 HG23 HD12 ' A' ' 173' ' ' LEU . 5.3 t -33.99 -39.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 172' ' ' THR . 4.3 mp -75.77 132.31 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.82 -74.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -115.49 125.24 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.5 t -103.89 99.41 16.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.457 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.71 170.22 17.03 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.83 28.9 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.555 HD13 HD21 ' A' ' 104' ' ' LEU . 53.0 mt -91.86 130.19 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.7 115.08 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 82.3 m-85 -81.89 131.65 35.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.32 143.35 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -72.7 129.24 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.25 -52.58 43.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -60.48 -36.04 77.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.15 75.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -72.44 -31.85 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.2 mt -65.65 -45.06 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -71.92 -40.93 68.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.22 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -65.63 -47.05 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.0 83.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.56 -38.09 78.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.81 -49.11 74.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.2 mt -64.28 -38.27 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' O ' HG22 ' A' ' 105' ' ' THR . 66.6 t80 -66.51 -44.69 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.88 -42.93 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 179' ' ' ILE . 22.4 mt -62.05 -50.06 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.9 t -65.3 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -66.04 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 113' ' ' VAL . 32.5 mt -64.54 -37.65 88.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -71.7 -0.94 12.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.1 m -90.49 -21.86 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 120.62 28.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 111.122 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -52.49 -50.59 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.74 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -89.81 -67.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.74 ' H ' HG13 ' A' ' 113' ' ' VAL . 4.7 m -90.36 76.96 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.03 -47.48 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.33 -42.16 88.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.9 tp -60.97 -36.48 79.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 83.8 t80 -66.83 -51.09 59.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.15 -25.31 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.2 mt -81.42 -35.22 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 74.22 50.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 108' ' ' LEU . 6.5 p -83.57 153.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 122' ' ' VAL . 11.8 pt-20 -146.39 124.33 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.5 mt -59.73 145.55 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 t -115.18 -35.47 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 19.0 ttmt -163.63 146.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.469 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 66.6 t -125.66 128.06 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.2 t -107.79 119.11 38.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.6 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 36.1 p -69.81 153.52 95.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.527 0.679 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -35.17 13.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.48 4.06 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 129' ' ' LEU . 11.2 m-85 58.42 27.7 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -90.13 -75.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.08 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.33 101.99 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.89 141.41 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.12 21.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -100.96 126.92 47.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 45.4 p-90 -120.75 142.48 49.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' TRP . 16.4 mmtp -36.71 125.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 p -134.08 141.87 47.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.7 t -102.29 -179.69 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 143' ' ' THR . 8.4 tp -82.96 19.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 148' ' ' GLN . 1.1 t -102.13 110.13 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.95 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.91 -48.1 75.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.48 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 0.4 OUTLIER -68.76 -39.8 80.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -61.96 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.77 65.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.71 -50.3 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.49 ' HE2' ' HB3' ' A' ' 152' ' ' MET . 26.7 mtp -64.8 -45.39 86.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -62.52 -39.33 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 -44.83 92.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 120' ' ' LEU . 7.6 p -71.48 -41.18 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.54 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 61.9 tp -68.29 -41.08 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.83 -51.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -64.64 -22.51 66.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -95.61 17.17 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -54.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.22 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.75 -41.62 77.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -59.82 -44.67 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -56.0 -44.12 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.7 -42.66 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.79 -34.99 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.569 HD22 ' HB1' ' A' ' 103' ' ' ALA . 11.1 mt -74.84 -36.21 62.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.0 mtt -42.79 -32.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 19.1 t -41.49 -56.3 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 173' ' ' LEU . 42.6 mt-30 -40.98 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -123.02 -39.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 73.2 m -38.45 -55.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.8 pt? -62.69 161.47 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.47 -69.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.47 165.92 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.713 ' CG2' HD11 ' A' ' 173' ' ' LEU . 54.5 t -123.71 99.61 38.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.6 Cg_endo -69.76 169.94 17.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.72 21.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.726 HD13 HD21 ' A' ' 104' ' ' LEU . 53.4 mt -92.03 125.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.07 116.32 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.54 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 78.2 m-85 -82.15 121.68 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.5 t -119.22 143.07 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -71.19 128.01 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -163.65 173.92 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 t -116.99 -47.45 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.47 -110.05 1.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -67.06 171.04 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.2 m -78.06 -60.74 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.17 -129.02 9.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -47.76 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 39.2 pttt -87.24 -46.81 9.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 22.3 tp10 -47.59 -38.51 14.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 27.6 t0 -35.86 -58.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -65.58 -33.03 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.0 -44.2 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -71.66 -36.98 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 133' ' ' PHE . 33.4 mt -65.62 -45.04 84.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -72.07 -43.94 64.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.95 -45.76 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.19 -46.28 77.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.75 -47.27 85.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.88 -38.47 60.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 173' ' ' LEU . 22.5 mt -60.97 -48.98 79.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.652 HD12 ' CD2' ' A' ' 96' ' ' LEU . 32.4 mt -66.46 -38.11 86.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 105' ' ' THR . 62.0 t80 -66.54 -42.2 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -73.8 -41.15 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.78 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.79 -42.48 73.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 HD13 ' A' ' 179' ' ' ILE . 29.6 mt -62.53 -50.22 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.82 -30.46 71.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.65 -41.67 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.04 -34.74 79.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.465 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -75.52 3.06 10.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 74.4 m -92.46 -30.85 15.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.5 m -113.76 117.56 44.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.555 0.693 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.22 -52.37 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.891 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.19 -55.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.6 p -92.06 70.06 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.38 -47.54 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.66 -42.44 86.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.586 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -59.51 -50.41 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 61.7 t80 -55.47 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -44.23 -30.43 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.675 HD11 HG11 ' A' ' 155' ' ' VAL . 13.6 mt -78.45 -32.59 48.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 118' ' ' TYR . 47.1 t30 73.23 47.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.465 HG13 HD23 ' A' ' 108' ' ' LEU . 13.2 p -80.57 152.26 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -144.58 118.11 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.95 157.66 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.2 p -128.9 -40.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 2.1 tmmm? -160.44 148.62 16.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.6 t -120.93 127.91 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 46.7 t -106.46 113.14 26.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.4 tp -109.06 140.52 42.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.0 p -69.86 152.72 95.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.574 0.702 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 -27.89 26.2 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -81.6 -1.77 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.5 m-85 62.59 25.73 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 24.2 t -90.0 -76.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.65 147.21 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.485 ' SG ' HD13 ' A' ' 100' ' ' LEU . 26.2 t -123.73 101.85 7.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.87 141.8 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.73 130.21 39.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -100.96 132.37 46.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 142' ' ' THR . 22.1 p-90 -126.29 142.92 51.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -55.02 115.09 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.546 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.2 p -106.87 165.43 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 2.9 p -88.96 -177.58 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.4 33.74 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -141.5 121.13 13.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.24 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -60.24 -45.62 92.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.406 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.2 -45.11 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.58 -37.52 87.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.62 -49.29 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.401 ' HG2' HD13 ' A' ' 120' ' ' LEU . 23.2 mtp -62.57 -44.96 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.32 -38.77 90.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.59 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 120' ' ' LEU . 5.7 p -71.18 -42.83 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 117' ' ' LEU . 26.3 tp -67.55 -40.0 84.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -61.68 -52.04 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.8 ptp85 -66.08 -18.2 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.4 15.13 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -53.82 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.88 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -56.94 -44.15 82.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.3 mtm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.8 ttp-105 -55.84 -43.89 77.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -66.02 -42.27 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.891 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -56.97 -35.07 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.78 HD22 ' HB1' ' A' ' 103' ' ' ALA . 18.0 mt -75.56 -37.66 59.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.5 mtt -44.21 -39.7 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 22.6 t -36.96 -46.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.32 93.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 44.7 mt-30 -53.55 -40.15 65.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 97.5 m -37.34 -41.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.564 ' CD2' HD13 ' A' ' 99' ' ' LEU . 4.1 mm? -67.17 120.77 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -69.51 -70.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.41 120.59 34.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.8 t -102.24 99.41 12.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.608 0.718 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.4 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 134.22 27.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.812 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -91.97 130.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.78 118.53 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 74.9 m-85 -81.99 131.41 35.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -125.12 141.21 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -71.14 128.92 37.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.2 -55.92 21.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -86.17 38.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -46.81 97.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.432 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -49.22 94.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -118.92 107.12 13.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -120.8 94.69 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.64 96.06 4.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.41 143.82 46.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 192' ' ' GLU . 1.2 pp20? -104.12 39.42 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.8 mt -93.33 114.23 26.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -110.93 -51.15 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -94.37 129.81 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 37.8 mt -121.05 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.7 tp -171.95 117.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -62.75 90.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 199' ' ' VAL . 11.5 p -116.77 127.22 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.2 145.64 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.053 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.35 122.62 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.5 t -162.68 146.13 11.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.83 88.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -3.49 12.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.328 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 28.0 m -63.77 109.37 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.8 p -54.49 -49.09 70.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' GLY . 88.4 p 34.38 41.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -43.67 -43.0 5.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -126.06 7.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -133.08 110.07 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.819 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -104.55 100.82 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.44 -114.24 0.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -82.77 158.51 22.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -77.88 -44.83 25.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 9.9 pt-20 -57.23 -49.2 76.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -35.89 -48.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.86 -42.0 99.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.1 -47.57 76.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 173' ' ' LEU . 0.1 OUTLIER -69.67 -34.43 73.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 20.3 mt -66.24 -44.94 82.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -69.19 -44.64 71.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -65.54 -43.72 89.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.1 tt -69.23 -45.35 70.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.35 -47.84 75.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.49 -37.01 92.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 95' ' ' ALA . 21.1 mt -63.95 -48.9 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.4 mt -65.28 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.542 ' O ' HG22 ' A' ' 105' ' ' THR . 38.9 t80 -65.88 -43.91 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -42.42 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.06 -38.81 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -66.0 -50.04 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 101' ' ' TYR . 15.0 t -69.99 -25.31 63.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -42.81 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.49 -35.14 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.1 mp -70.31 -4.48 22.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 64.6 m -89.92 -21.82 22.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -119.03 112.44 36.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.566 0.698 . . . . 0.0 111.125 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.83 -3.45 12.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.665 2.243 . . . . 0.0 112.344 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -49.33 -52.24 29.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.99 HG21 HD11 ' A' ' 166' ' ' LEU . 10.1 p -92.13 -55.12 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.672 ' N ' HG13 ' A' ' 113' ' ' VAL . 84.9 p -91.96 66.19 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.24 -46.76 88.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 114' ' ' SER . 7.6 tp -60.79 -50.88 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 54.7 t80 -53.48 -52.89 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -40.89 -33.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.636 HD13 ' HG2' ' A' ' 152' ' ' MET . 15.6 mt -80.73 -35.27 33.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 118' ' ' TYR . 6.9 t30 74.45 53.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 p -81.44 149.41 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -136.7 120.61 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.422 HD12 ' HB ' ' A' ' 105' ' ' THR . 19.7 mt -61.03 158.58 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -128.02 -38.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.39 155.29 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.0 t -124.68 131.98 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 137' ' ' ARG . 14.5 t -110.67 111.81 23.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 133' ' ' PHE . 13.9 tp -106.73 141.43 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 23.5 p -69.54 151.68 96.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.21 32.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.99 3.06 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.53 ' CD1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 58.5 26.07 13.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 81.7 p -90.24 -76.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.43 144.81 25.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 29.0 t -123.28 101.61 7.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' SER . 37.6 mtp180 -96.88 140.88 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.65 135.87 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -100.81 131.86 46.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CZ3' HG22 ' A' ' 142' ' ' THR . 14.4 p-90 -121.99 142.72 50.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -54.04 120.27 6.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 68.8 p -121.3 171.99 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.567 HG23 HE22 ' A' ' 148' ' ' GLN . 19.2 p -101.2 177.01 5.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.48 20.94 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.5 m -118.36 126.47 52.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -47.81 83.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.567 HE22 HG23 ' A' ' 143' ' ' THR . 0.1 OUTLIER -70.74 -41.06 72.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -65.31 -36.15 83.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.435 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -69.16 -49.48 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.636 ' HG2' HD13 ' A' ' 120' ' ' LEU . 41.2 mtp -60.38 -44.97 95.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -62.38 -39.02 91.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.13 -44.74 87.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.412 HG11 HD11 ' A' ' 120' ' ' LEU . 6.5 p -71.4 -41.12 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 54.3 tp -68.55 -44.6 74.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -61.38 -52.01 66.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 0.7 OUTLIER -65.51 -17.23 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.71 9.8 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.06 -49.25 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.79 -61.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -56.76 -43.3 80.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.1 mtm -57.05 -41.45 78.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -55.8 -46.02 78.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.09 -42.52 89.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.99 HD11 HG21 ' A' ' 113' ' ' VAL . 30.0 mt -55.64 -34.93 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.714 HD22 ' HB1' ' A' ' 103' ' ' ALA . 10.7 mt -75.36 -41.24 56.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 167' ' ' LEU . 16.7 mtt -37.87 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 167' ' ' LEU . 66.5 m -46.74 -51.21 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -37.79 135.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.54 39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 62.5 m -120.62 -52.84 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 174' ' ' ARG . 2.4 pp -65.06 170.55 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 173' ' ' LEU . 9.1 tpt180 -90.35 -75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.51 ' O ' HD13 ' A' ' 173' ' ' LEU . 3.5 t30 -116.6 155.69 28.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 173' ' ' LEU . 46.1 t -120.0 98.63 49.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.73 170.13 17.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.55 28.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.801 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -91.87 127.2 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.17 116.02 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.571 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.0 m-85 -81.85 132.44 35.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.0 t -127.82 143.65 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.59 128.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -41.86 -63.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -84.87 150.79 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -106.17 105.29 2.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -67.79 94.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.811 0.339 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -105.09 123.54 47.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -131.92 38.27 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 190' ' ' LEU . 2.3 pt? -57.49 146.53 29.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -134.01 40.49 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -108.92 90.94 3.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 49.7 mt -95.25 137.47 34.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -139.28 106.08 5.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -125.82 107.96 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.2 pp -129.55 150.67 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.8 tt -167.41 126.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -151.94 136.91 17.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.2 137.62 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -112.08 86.82 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -120.7 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 93.6 p -172.09 109.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -160.87 86.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 158.28 57.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 61.4 p -102.12 160.44 14.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 87.3 p -145.71 171.03 15.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -78.58 -40.94 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.6 t -89.76 95.3 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.78 99.24 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.7 p -80.86 -46.59 15.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 m -136.43 161.57 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.93 -88.22 2.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -61.49 138.96 58.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -54.96 -42.22 72.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.8 mm-40 -42.85 -45.73 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -39.63 -44.46 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -63.2 -38.54 91.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.83 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -72.27 -32.75 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.3 mt -66.04 -45.15 82.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -72.2 -44.3 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.08 -48.02 77.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -64.8 -46.65 81.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.66 -48.11 82.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.73 -34.89 62.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.9 mt -66.24 -46.93 75.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.5 mt -66.79 -38.17 86.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.798 ' O ' HG22 ' A' ' 105' ' ' THR . 32.1 t80 -66.91 -42.81 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -72.07 -42.85 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.746 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.78 -40.93 75.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.687 HD21 HD13 ' A' ' 179' ' ' ILE . 39.7 mt -63.05 -50.04 72.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 101' ' ' TYR . 6.7 t -67.61 -27.29 66.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.99 -41.13 82.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.51 -33.42 75.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -72.62 -0.47 13.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 71.1 m -91.63 -27.96 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.23 113.79 53.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.6 -51.65 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.028 HG21 HD11 ' A' ' 166' ' ' LEU . 10.6 p -91.65 -54.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.663 ' N ' HG13 ' A' ' 113' ' ' VAL . 28.5 p -91.78 65.09 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -60.01 -47.29 86.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 155' ' ' VAL . 0.6 OUTLIER -66.19 -42.13 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 156' ' ' LEU . 11.4 tp -61.66 -46.66 88.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 40.9 t80 -56.93 -51.07 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -45.36 -36.16 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.654 HD11 HG11 ' A' ' 155' ' ' VAL . 15.3 mt -78.42 -29.5 47.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 t30 67.18 52.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 117' ' ' LEU . 7.3 p -78.89 147.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -130.87 117.86 19.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.22 148.74 49.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.2 t -114.65 -41.74 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -168.71 159.85 10.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.5 t -123.41 129.33 74.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.7 t -108.03 114.93 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.2 tp -110.53 141.17 44.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 10.2 p -69.86 153.51 95.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -23.12 31.22 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.92 0.59 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.587 ' CE1' HD23 ' A' ' 93' ' ' LEU . 10.4 m-85 59.92 24.94 14.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.2 t -90.16 -75.15 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.4 146.39 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.47 101.87 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -87.75 141.04 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.96 126.51 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -101.35 131.52 47.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.561 ' CH2' HG22 ' A' ' 142' ' ' THR . 39.5 p-90 -125.53 148.48 48.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -56.36 122.81 12.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.561 HG22 ' CH2' ' A' ' 140' ' ' TRP . 68.8 p -122.99 173.18 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 69.1 p -98.37 175.67 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -88.13 36.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 m -137.03 131.86 33.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.0 74.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.77 -45.4 94.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.492 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -67.46 -40.54 85.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.1 -38.72 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.02 -46.61 86.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.459 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.6 t60 -60.74 -49.83 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.798 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 38.3 mtp -63.38 -44.49 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.423 ' CG ' HE21 ' A' ' 157' ' ' GLN . 11.1 tt0 -62.48 -38.34 89.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.9 83.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.43 -41.07 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 117' ' ' LEU . 49.5 tp -68.37 -45.77 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.423 HE21 ' CG ' ' A' ' 153' ' ' GLU . 17.9 mt-30 -59.11 -51.28 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 159' ' ' SER . 3.3 ptp180 -58.31 -32.92 68.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -88.54 18.3 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.1 -47.5 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.25 -42.03 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.4 mtm -58.58 -40.91 84.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -55.47 -46.22 76.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.38 -41.95 88.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.028 HD11 HG21 ' A' ' 113' ' ' VAL . 40.8 mt -55.29 -34.92 64.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.746 HD22 ' HB1' ' A' ' 103' ' ' ALA . 12.3 mt -80.26 -33.8 37.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.2 mmt -49.0 -24.59 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.6 m -50.77 -42.89 58.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -45.25 163.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 172' ' ' THR . 14.4 pt20 -121.14 -37.98 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 171' ' ' GLN . 35.7 m -36.99 -72.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 1.052 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -51.42 170.29 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 175' ' ' ASN . 0.0 OUTLIER -110.44 -36.08 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.439 ' HB3' ' CD ' ' A' ' 174' ' ' ARG . 9.4 p-10 -139.52 150.28 44.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 173' ' ' LEU . 37.8 t -117.26 99.13 52.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 111.185 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.69 168.51 21.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 132.28 23.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.687 HD13 HD21 ' A' ' 104' ' ' LEU . 61.0 mt -91.93 122.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.1 115.85 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 56.9 m-85 -81.99 124.28 29.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 88.9 t -123.93 138.09 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.53 127.96 34.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -60.12 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -89.13 -58.56 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 67.53 -83.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -131.89 112.9 12.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -107.97 -46.99 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -98.55 87.11 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.0 165.63 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -92.37 169.95 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.29 42.03 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' ' 193' ' ' LEU . 0.4 OUTLIER -48.69 133.12 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -127.59 137.14 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -85.73 115.8 23.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.8 mt -115.98 162.63 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.4 pp -113.63 176.12 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -162.89 175.03 11.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 36.0 m -123.5 159.37 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -165.93 155.0 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.78 155.63 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 46.5 t -153.47 150.44 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -167.56 85.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.47 2.94 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 96.1 p -150.03 175.72 11.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.5 p -163.04 168.61 20.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t -171.24 172.6 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 m -157.43 135.91 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -105.13 88.34 0.58 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.2 m -93.43 95.85 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.6 m -128.95 137.63 51.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.78 -142.74 14.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 153.72 25.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -53.15 -46.03 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.7 mm-40 -41.29 -47.3 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' GLU . 28.5 m-20 -36.96 -48.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -63.05 -39.05 93.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -67.32 -47.12 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -70.97 -32.47 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 28.6 mt -65.61 -45.1 84.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.08 65.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.43 -45.93 78.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -67.59 -47.09 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.38 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -36.69 68.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 173' ' ' LEU . 20.9 mt -63.81 -48.97 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 96' ' ' LEU . 26.1 mt -64.46 -38.32 90.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.79 ' O ' HG22 ' A' ' 105' ' ' THR . 61.0 t80 -65.41 -42.83 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -39.57 64.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.908 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.39 -42.89 74.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 179' ' ' ILE . 22.3 mt -62.98 -50.34 71.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 101' ' ' TYR . 4.9 t -63.7 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.9 -38.18 82.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.64 -36.04 75.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -75.78 5.57 6.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 99.3 m -96.57 -28.57 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -112.17 115.78 49.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 0.0 111.148 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.73 3.15 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -58.14 -51.99 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.047 HG21 HD11 ' A' ' 166' ' ' LEU . 10.5 p -91.86 -54.75 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.665 ' N ' HG13 ' A' ' 113' ' ' VAL . 76.9 p -91.89 64.86 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -60.51 -46.61 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG3' ' CG2' ' A' ' 155' ' ' VAL . 0.1 OUTLIER -65.25 -39.71 93.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 9.1 tp -64.44 -51.11 64.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 38.3 t80 -52.83 -49.67 65.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -41.67 -30.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.578 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -87.5 -32.7 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 118' ' ' TYR . 7.1 t-20 71.91 54.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.4 p -79.54 151.66 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -137.23 125.09 22.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 104' ' ' LEU . 29.5 mt -61.57 156.5 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.4 p -128.31 -39.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 21.3 ttpt -167.75 150.56 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 48.2 t -124.89 126.9 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.6 m -108.98 118.23 36.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.578 HD21 ' CD1' ' A' ' 133' ' ' PHE . 12.4 tp -110.36 141.1 43.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 40.0 p -69.82 153.94 95.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.701 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.46 31.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.26 3.11 53.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CD1' HD21 ' A' ' 129' ' ' LEU . 21.7 m-85 58.56 28.15 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.4 m -90.36 -76.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.83 151.1 21.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 26.9 t -129.63 101.76 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -87.63 141.15 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.4 124.67 26.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.405 ' HB3' ' CG ' ' A' ' 184' ' ' ASP . 95.7 m-85 -100.65 132.48 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.571 ' CH2' HG22 ' A' ' 142' ' ' THR . 18.8 p-90 -123.6 160.24 27.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.33 119.76 12.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.571 HG22 ' CH2' ' A' ' 140' ' ' TRP . 18.7 p -113.86 175.17 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 51.0 p -89.52 -177.93 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 tp -80.62 -23.94 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.5 m -90.11 130.32 36.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.36 83.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.98 -48.02 76.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 14.7 tm0? -61.34 -38.24 86.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.86 -37.17 86.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.53 -47.69 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.7 t60 -61.01 -50.98 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.578 ' HG2' HD13 ' A' ' 120' ' ' LEU . 8.5 mtp -65.11 -42.92 93.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.12 -39.18 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 116' ' ' GLU . 5.4 p -71.3 -41.76 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 55.9 tp -66.97 -44.77 79.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.99 -50.68 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -62.5 -28.54 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -86.58 18.26 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.91 -46.32 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.36 -60.52 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -56.97 -41.34 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.3 mtt -56.86 -47.86 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.81 -45.99 78.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -64.59 -42.82 95.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.047 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -55.62 -36.93 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.908 HD22 ' HB1' ' A' ' 103' ' ' ALA . 42.5 mt -72.84 -40.75 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 169' ' ' SER . 22.0 mtt -40.78 -39.4 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 168' ' ' MET . 4.9 t -37.24 -43.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -51.72 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 172' ' ' THR . 29.9 tp60 -128.73 -56.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.0 p -37.08 -35.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 99' ' ' LEU . 4.0 mp -70.87 135.75 48.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.57 -73.96 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -115.95 137.96 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.43 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 83.9 t -116.25 99.4 52.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.668 0.747 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.3 Cg_endo -69.79 170.08 17.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 131.39 21.2 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.745 HD13 HD21 ' A' ' 104' ' ' LEU . 60.8 mt -91.87 125.06 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.42 116.77 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.575 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.84 124.76 29.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.6 t -120.78 143.77 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.72 133.88 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.405 ' CG ' ' HB3' ' A' ' 139' ' ' TYR . 3.9 m-20 -75.36 49.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -124.96 127.44 47.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -76.86 51.09 3.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -112.6 97.53 6.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -104.34 99.84 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -102.54 82.3 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.2 tp -112.98 41.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -89.69 35.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -115.34 96.96 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 64.4 mt -90.16 151.41 21.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -121.36 115.54 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -99.63 120.56 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.91 135.02 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 6.4 tp -157.56 120.3 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -156.8 116.99 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 91.1 t -139.96 136.89 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -173.47 117.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -82.32 87.76 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.6 t -122.87 139.89 53.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -152.83 76.1 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 165.25 31.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 2.4 m -159.59 110.9 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.0 m -92.63 85.89 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.4 m -92.25 109.56 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 p -69.59 114.81 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -167.41 -116.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.5 p -54.12 100.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 t -136.1 122.5 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.43 -38.11 3.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -58.03 171.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -52.19 -47.49 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.1 mt-10 -38.52 -49.72 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -38.68 -51.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.56 -36.63 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.72 -47.9 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -70.32 -34.3 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -64.04 -44.82 91.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.7 ttm-85 -70.76 -43.09 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.57 -41.33 88.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.2 tt -69.37 -45.75 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.16 -46.03 82.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.03 -41.4 71.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.499 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.4 mt -60.27 -46.96 88.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.0 mt -64.45 -40.98 96.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -65.02 -44.72 88.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' THR . 16.5 tppt? -69.74 -46.62 65.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.24 -37.66 88.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 124' ' ' LEU . 25.1 mt -65.87 -50.09 65.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 102' ' ' LYS . 8.9 t -62.91 -28.15 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.28 -46.11 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.32 -32.71 73.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -76.68 -1.0 25.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 96.2 m -95.1 -17.34 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.612 HG21 ' OE1' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -117.79 113.61 37.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.145 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.8 -2.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.612 ' OE1' HG21 ' A' ' 110' ' ' THR . 28.5 mt-10 -54.89 -51.78 64.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.816 HG21 HD11 ' A' ' 166' ' ' LEU . 9.9 p -92.06 -55.27 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.671 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -92.14 65.47 4.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.76 -47.15 87.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.14 -42.48 96.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.671 HD11 HG11 ' A' ' 122' ' ' VAL . 15.0 tp -62.91 -51.35 67.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 46.6 t80 -51.65 -48.21 63.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -23.08 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD13 ' HG2' ' A' ' 152' ' ' MET . 43.7 mt -90.21 -34.58 15.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 m120 74.9 44.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -72.35 157.68 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.505 ' N ' HG22 ' A' ' 122' ' ' VAL . 29.0 mt-10 -144.42 122.91 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.3 mt -63.03 145.51 55.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.3 p -114.12 -36.17 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -173.89 155.79 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.61 132.69 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -112.83 118.29 34.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.679 HD21 ' CD1' ' A' ' 133' ' ' PHE . 15.3 tp -110.93 141.2 44.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.474 HG23 ' NH1' ' A' ' 137' ' ' ARG . 1.6 p -69.71 156.16 92.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -24.55 29.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.73 4.36 33.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.679 ' CD1' HD21 ' A' ' 129' ' ' LEU . 7.5 m-85 54.98 25.5 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 17.3 t -90.06 -75.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.04 151.66 21.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 44.7 t -131.15 101.92 5.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.474 ' NH1' HG23 ' A' ' 130' ' ' THR . 0.2 OUTLIER -85.52 141.73 29.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -130.76 125.64 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -100.93 131.31 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.464 ' O ' HG23 ' A' ' 142' ' ' THR . 33.3 p-90 -125.07 142.79 51.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -41.59 124.1 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 140' ' ' TRP . 11.5 p -134.9 -176.38 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.1 t -137.79 177.0 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.442 ' N ' ' OG1' ' A' ' 143' ' ' THR . 13.6 tp -77.01 5.91 7.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -91.27 103.97 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -63.68 -48.0 78.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.465 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 1.5 pp0? -69.52 -36.98 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.433 ' OD1' ' NE2' ' A' ' 148' ' ' GLN . 63.9 m-20 -68.52 -38.09 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 -47.64 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 3.4 t60 -67.45 -47.92 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.4 ' HG2' HD13 ' A' ' 120' ' ' LEU . 37.8 mtp -64.42 -42.56 95.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -41.12 98.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.93 92.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.47 -40.72 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.6 tp -66.05 -42.69 89.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -62.18 -51.96 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -63.52 -14.09 47.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 18.1 m -103.98 6.27 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.7 -49.1 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.91 -59.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -56.86 -43.18 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.9 mtm -57.74 -43.05 85.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -55.96 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -63.99 -44.99 90.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.816 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -55.53 -34.92 65.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.683 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.6 mt -73.87 -39.03 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.5 mtt -41.98 -40.07 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 8.2 t -38.77 -53.66 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 167' ' ' LEU . 4.7 mp0 -54.25 93.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.6 pt20 -54.72 -39.44 68.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 171' ' ' GLN . 10.5 t -34.73 -40.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.499 ' HG ' HD13 ' A' ' 99' ' ' LEU . 9.2 mt -78.79 118.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -62.18 -69.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 175' ' ' ASN . 1.0 OUTLIER -119.9 131.87 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.8 t -109.59 99.41 37.42 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.446 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.0 Cg_endo -69.77 170.0 17.6 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 134.32 27.57 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.621 2.214 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.638 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -92.79 135.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.6 t -130.25 117.84 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -82.08 126.38 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.27 143.92 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -71.05 131.85 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.94 -53.97 52.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -97.54 106.6 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -91.48 37.51 3.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -44.45 129.74 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.42 101.74 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -129.53 53.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.8 tt -91.0 65.87 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -131.46 78.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -112.2 98.95 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 40.7 mt -100.7 37.84 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -123.66 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -128.71 102.59 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' ' 197' ' ' LEU . 9.3 tt -132.19 144.31 50.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 196' ' ' LEU . 14.9 tp -70.57 110.67 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -155.69 118.24 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.57 103.57 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -77.26 -46.11 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -119.38 155.38 32.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 69.8 m -40.53 -59.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 77.03 146.29 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 103.49 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 94.3 p -70.07 -43.67 70.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.4 m -54.99 -59.95 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 m -136.38 141.73 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 p -173.64 109.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.92 -154.94 14.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 t -82.17 142.0 32.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -61.04 141.52 57.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.02 -49.24 0.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.4 mtm-85 -60.63 141.66 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.26 -40.52 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.9 mm-40 -39.82 -43.23 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -41.82 -45.3 3.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -65.39 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.57 -47.17 76.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 133' ' ' PHE . 13.7 ttm105 -71.39 -29.02 64.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 HD23 ' A' ' 129' ' ' LEU . 24.7 mt -65.46 -44.9 85.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -71.91 -44.35 63.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -64.67 -46.52 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.2 tt -66.09 -46.96 75.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.4 -47.47 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.58 62.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.669 HD13 ' CB ' ' A' ' 173' ' ' LEU . 21.5 mt -62.46 -49.34 75.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 96' ' ' LEU . 35.7 mt -67.05 -39.72 86.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.791 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -66.75 -42.49 86.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.7 -41.15 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.945 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.25 -42.77 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 179' ' ' ILE . 24.2 mt -63.3 -50.49 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -65.04 -28.13 69.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.39 -35.0 70.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.69 -34.66 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -74.67 1.57 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.43 -34.04 15.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.9 m -108.68 117.0 55.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 0.0 111.085 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.79 3.2 2.92 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.647 2.232 . . . . 0.0 112.354 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -53.67 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.863 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.62 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 25.6 p -92.61 68.52 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -60.17 -47.46 85.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.77 -41.97 86.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 HD13 ' A' ' 156' ' ' LEU . 14.3 tp -62.27 -40.81 97.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 63.1 t80 -61.66 -51.79 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -45.39 -33.01 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 117' ' ' LEU . 10.6 mt -76.72 -30.81 56.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' TYR . 65.0 t30 68.41 44.57 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.48 147.45 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -135.03 123.53 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.0 mt -50.57 153.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -120.34 -40.89 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 24.7 ttmt -170.36 147.43 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.471 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 96.3 t -121.45 126.53 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.8 t -109.08 119.01 38.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.6 tp -109.51 139.59 44.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.1 p -70.04 154.24 94.76 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.573 0.701 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -24.1 30.13 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -86.42 4.85 37.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.58 ' CD1' HD21 ' A' ' 129' ' ' LEU . 8.6 m-85 54.51 25.07 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.41 ' O ' ' HD2' ' A' ' 178' ' ' PRO . 0.9 OUTLIER -90.85 -73.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -91.39 148.4 22.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 100' ' ' LEU . 29.5 t -126.55 102.55 7.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.92 140.76 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.69 120.62 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -100.99 127.38 47.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.493 ' CH2' HG22 ' A' ' 142' ' ' THR . 26.0 p-90 -120.1 155.99 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -58.41 122.09 12.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.493 HG22 ' CH2' ' A' ' 140' ' ' TRP . 44.0 p -123.1 158.59 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 60.9 p -89.66 171.76 9.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.5 tp -85.85 35.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.3 m -137.17 122.74 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.14 96.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -59.87 -47.42 85.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.57 -43.07 90.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.31 -35.9 80.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.57 -49.84 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.515 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.1 t60 -62.22 -47.55 83.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 19.8 mtp -64.43 -45.0 89.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.0 -36.9 82.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.7 -44.36 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.29 -40.87 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 181' ' ' PHE . 40.8 tp -69.35 -44.34 71.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -62.1 -52.13 65.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.9 ppt_? -64.01 -14.25 52.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.7 m -103.35 18.1 22.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.96 -50.55 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -59.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -56.81 -42.92 80.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 3.9 mtm -56.92 -46.31 82.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -55.85 -45.02 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.39 -42.42 92.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.863 HD11 HG21 ' A' ' 113' ' ' VAL . 46.9 mt -55.78 -37.04 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.945 HD22 ' HB1' ' A' ' 103' ' ' ALA . 56.3 mt -74.27 -38.11 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.8 mtt -45.83 -30.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.7 t -40.33 -46.82 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -78.1 138.69 38.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 172' ' ' THR . 36.8 mm-40 -101.34 -32.71 10.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 171' ' ' GLN . 57.5 m -37.29 -52.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.179 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.669 ' CB ' HD13 ' A' ' 99' ' ' LEU . 4.4 pp -60.25 171.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 175' ' ' ASN . 21.5 mmt180 -103.98 -174.65 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 174' ' ' ARG . 8.8 t30 -34.1 127.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.487 HG22 HD13 ' A' ' 173' ' ' LEU . 58.2 t -102.32 98.92 11.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.607 0.718 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.07 17.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.79 132.84 24.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.625 HD13 HD21 ' A' ' 104' ' ' LEU . 61.7 mt -91.93 130.78 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 42.5 t -122.35 116.42 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.576 ' CD1' HD21 ' A' ' 156' ' ' LEU . 68.6 m-85 -82.0 121.17 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.73 143.99 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 40.1 mt-30 -71.22 128.46 36.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 0.4 OUTLIER -35.94 -54.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 72.04 -66.15 1.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -139.2 164.42 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -114.8 151.15 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -105.47 83.45 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.37 139.96 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -126.25 86.33 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -127.43 89.69 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.671 HD23 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -121.38 85.0 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.78 102.33 14.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -130.31 132.21 45.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 10.3 tt -130.23 133.94 46.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 2.1 tt -139.61 109.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -136.07 114.29 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.93 100.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -102.05 95.18 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -120.65 149.05 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.6 m -158.53 171.26 20.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 165.07 138.04 2.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 127.35 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 8.5 t -73.65 -53.11 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.9 t -53.86 124.34 15.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.9 p -101.65 155.12 18.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 p -168.68 109.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.53 57.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.5 m -101.47 86.71 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.5 m -172.14 119.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.67 -140.95 31.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -62.08 -38.32 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -47.07 -42.29 18.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -43.75 -39.74 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -43.19 -43.43 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -67.98 -38.25 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.2 -47.76 75.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -71.9 -37.32 70.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 mt -65.69 -45.24 83.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -72.24 -41.69 66.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.36 -48.9 68.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.4 tt -63.92 -47.05 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.3 -36.08 83.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.408 HD22 ' OE1' ' A' ' 170' ' ' GLN . 22.1 mt -64.06 -45.9 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 136' ' ' CYS . 36.8 mt -66.65 -36.14 81.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.693 ' O ' HG22 ' A' ' 105' ' ' THR . 57.5 t80 -66.61 -41.47 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -72.93 -42.92 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.98 -40.57 75.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 HD13 ' A' ' 179' ' ' ILE . 35.3 mt -63.46 -50.11 71.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 101' ' ' TYR . 10.2 t -66.72 -28.24 68.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.63 -40.84 84.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.94 -38.42 91.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -70.16 -2.18 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 70.3 m -89.71 -26.9 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 114.5 42.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.517 0.675 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.75 2.81 3.2 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.272 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.76 -52.07 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 166' ' ' LEU . 7.4 p -91.94 -58.42 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 37.3 m -92.73 69.13 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.5 -47.03 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.38 -42.31 98.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 7.6 tp -59.59 -51.19 70.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 47.0 t80 -52.03 -49.54 63.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.72 -40.33 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' HG2' ' A' ' 152' ' ' MET . 14.7 mt -77.15 -26.38 52.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' TYR . 11.2 m120 62.43 54.49 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 117' ' ' LEU . 7.4 p -80.12 150.59 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -134.3 123.75 24.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.449 HD12 ' HB ' ' A' ' 105' ' ' THR . 27.4 mt -63.64 157.86 22.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.4 t -127.68 -40.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -164.12 159.02 19.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.72 127.44 66.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -103.21 113.3 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.0 tp -107.68 140.98 39.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 21.2 p -69.98 151.26 96.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -26.1 27.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.3 6.25 37.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.585 ' CD1' HD13 ' A' ' 96' ' ' LEU . 27.3 m-85 56.64 27.56 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.0 t -90.13 -76.46 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 153.49 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' A' ' 100' ' ' LEU . 14.3 t -129.58 102.42 6.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.37 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.6 127.14 36.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.95 134.78 43.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.694 ' CZ3' HG22 ' A' ' 142' ' ' THR . 39.8 p-90 -130.42 142.24 50.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -52.33 125.44 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.694 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 81.2 p -124.2 170.33 10.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.451 HG23 ' NE2' ' A' ' 148' ' ' GLN . 65.1 p -97.66 170.41 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.476 HD12 ' HD2' ' A' ' 185' ' ' LYS . 10.6 tp -86.85 34.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 m -132.73 117.98 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.57 77.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.23 -45.8 83.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.6 tm0? -69.27 -46.02 68.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -60.17 -38.33 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.08 64.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -61.8 -50.48 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.718 ' HG2' HD13 ' A' ' 120' ' ' LEU . 15.7 mtp -62.93 -45.84 90.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -62.1 -37.32 84.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.14 90.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 120' ' ' LEU . 4.1 p -70.9 -40.78 76.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 61.4 tp -69.13 -45.25 70.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.14 -52.16 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 158' ' ' ARG . 4.3 ppt_? -64.31 -17.24 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.7 m -101.38 13.69 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.79 -47.95 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.92 -62.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -56.95 -42.78 80.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.7 mtm -57.37 -40.05 77.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -55.9 -45.4 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -66.07 -41.81 90.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.764 HD11 HG21 ' A' ' 113' ' ' VAL . 46.1 mt -57.06 -34.63 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' A' ' 103' ' ' ALA . 28.9 mt -79.07 -32.99 44.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.3 mmt -50.42 -34.82 25.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.7 t -40.54 -44.46 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.408 ' OE1' HD22 ' A' ' 99' ' ' LEU . 29.3 mt-30 -51.66 104.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -85.82 44.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 55.1 m -115.47 -64.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 1.002 HD11 HG22 ' A' ' 176' ' ' VAL . 1.2 pt? -52.98 177.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -94.11 -69.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.15 142.69 51.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 1.002 HG22 HD11 ' A' ' 173' ' ' LEU . 46.2 t -105.18 99.22 18.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.0 Cg_endo -69.7 169.96 17.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.0 24.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.81 HD13 HD21 ' A' ' 104' ' ' LEU . 63.3 mt -91.93 126.31 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.27 115.14 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 70.8 m-85 -82.07 129.6 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 93.4 t -126.15 137.59 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -75.37 128.18 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.0 -62.17 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.476 ' HD2' HD12 ' A' ' 144' ' ' LEU . 21.8 mmtm -41.65 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 39.76 78.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -91.08 138.96 31.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -122.17 87.18 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -100.98 88.69 3.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 33.9 mt -51.31 137.05 23.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -124.73 40.99 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -124.22 43.88 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 28.6 mt -86.81 119.43 27.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -110.66 110.82 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -102.87 78.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.15 91.14 4.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.5 tt -174.48 125.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -146.87 131.35 17.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.7 138.57 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -173.5 119.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -103.32 161.7 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 3.1 t -168.85 148.09 4.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 168.34 60.23 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -176.94 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 15.5 t -171.42 172.27 5.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 57.9 m 45.49 47.01 11.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.6 m -137.12 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -86.84 124.07 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.9 115.88 0.5 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.4 p -107.07 81.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.8 p -133.99 179.57 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.25 68.86 0.87 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -74.01 175.04 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -35.1 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ALA . 38.6 mt-10 -52.96 -47.69 67.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -36.88 -52.63 0.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.1 -36.47 84.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -64.27 -48.07 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -32.42 74.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 133' ' ' PHE . 24.6 mt -64.81 -45.02 87.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -69.28 -44.28 72.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.93 -44.76 84.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.0 tt -67.6 -40.87 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.96 -47.77 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.28 -39.52 71.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 136' ' ' CYS . 28.9 mt -64.88 -40.99 95.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.707 ' O ' HG22 ' A' ' 105' ' ' THR . 59.4 t80 -66.05 -40.97 91.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -73.02 -41.14 64.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.799 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.22 -41.68 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 179' ' ' ILE . 25.1 mt -64.13 -50.3 68.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.7 t -63.76 -32.24 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -39.81 89.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.77 -37.54 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.4 mp -71.27 -1.82 14.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 65.0 m -90.24 -27.21 19.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.26 111.32 64.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.719 . . . . 0.0 111.172 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.81 4.7 2.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -51.7 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.082 HG21 HD11 ' A' ' 166' ' ' LEU . 10.7 p -91.54 -54.63 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.662 ' N ' HG13 ' A' ' 113' ' ' VAL . 11.2 p -91.75 52.58 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -57.64 -47.35 82.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.64 -42.24 99.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.557 HD11 HG11 ' A' ' 122' ' ' VAL . 25.9 tp -69.03 -36.69 78.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 39.0 t80 -60.22 -44.0 95.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.65 -28.21 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 155' ' ' VAL . 30.0 mt -83.42 -16.71 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.0 t30 52.95 54.77 9.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 117' ' ' LEU . 8.8 p -85.7 147.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.2 117.83 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.92 144.13 29.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -111.18 -41.45 4.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 139' ' ' TYR . 13.4 pttp -166.32 160.08 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -128.56 128.71 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.7 t -109.76 113.21 25.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.536 HD22 HD22 ' A' ' 96' ' ' LEU . 19.1 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.5 p -69.73 153.24 95.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.73 23.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.67 -0.77 44.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' HD13 ' A' ' 96' ' ' LEU . 16.0 m-85 62.46 28.53 16.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.2 m -90.28 -77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.94 148.73 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 100' ' ' LEU . 5.6 t -123.61 101.79 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.81 138.95 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -128.87 123.0 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' HB2' ' CG ' ' A' ' 126' ' ' LYS . 5.8 m-85 -100.95 124.08 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.628 ' O ' HG23 ' A' ' 142' ' ' THR . 42.7 p-90 -121.54 143.26 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.508 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -37.42 134.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 140' ' ' TRP . 25.8 p -141.48 140.92 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.431 HG22 ' NE2' ' A' ' 148' ' ' GLN . 2.8 t -96.88 175.96 6.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.4 tt -84.01 23.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.11 98.36 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.18 -32.6 55.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.062 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -63.81 -46.14 86.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.431 ' NE2' HG22 ' A' ' 143' ' ' THR . 28.1 tt0 -71.57 -39.76 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 93.9 m-20 -65.86 -41.0 92.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.36 -49.77 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -67.59 -48.99 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 35.8 mtp -62.45 -44.17 97.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.8 tt0 -62.37 -40.05 95.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.69 92.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.763 HG11 HD11 ' A' ' 120' ' ' LEU . 6.4 p -71.45 -41.75 73.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.3 tp -67.83 -41.22 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -61.79 -51.17 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -63.64 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -81.99 15.78 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.06 -54.3 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.87 -58.67 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -56.89 -44.31 82.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.7 mtm -57.38 -43.66 83.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -55.83 -44.06 77.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -64.92 -42.24 94.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.082 HD11 HG21 ' A' ' 113' ' ' VAL . 57.2 mt -58.13 -34.99 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.799 HD22 ' HB1' ' A' ' 103' ' ' ALA . 21.2 mt -76.33 -33.74 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 25.7 mtt -51.64 -33.58 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 22.5 m -40.69 -43.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.28 97.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' THR . 12.5 mp0 -57.27 -35.53 69.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.0 m -35.42 -54.69 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.45 127.68 33.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -68.61 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -127.46 131.98 50.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 80.4 t -110.95 99.36 42.41 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.7 Cg_endo -69.73 170.04 17.46 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 133.76 26.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.734 2.29 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.992 HD13 HD21 ' A' ' 104' ' ' LEU . 63.9 mt -91.93 124.1 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.18 117.22 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.574 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 69.3 m-85 -81.9 132.57 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 75.9 t -130.73 142.45 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -70.88 127.93 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -38.4 -40.09 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -126.6 -49.02 1.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 79.46 -63.58 3.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.539 ' HB2' HD11 ' A' ' 190' ' ' LEU . 15.8 p-10 -125.15 83.35 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -91.74 -51.82 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -121.82 80.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 187' ' ' ASN . 77.9 mt -85.26 40.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -138.47 172.4 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.01 85.12 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 47.9 mt -79.34 94.01 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -122.41 108.07 12.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.672 ' C ' HD22 ' A' ' 196' ' ' LEU . 14.9 tt0 -112.1 119.9 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 195' ' ' GLN . 4.3 mm? -128.14 97.32 4.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 4.8 tt -161.78 123.15 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -173.8 128.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.09 170.37 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -171.06 153.75 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.89 174.0 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 78.2 p -111.52 140.17 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 103.72 65.69 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 175.18 8.44 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 206' ' ' SER . 8.8 t -140.32 141.44 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 205' ' ' SER . 97.5 p 35.82 42.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m -58.83 143.35 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 m -110.99 152.06 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -96.21 -153.83 30.01 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.4 m -119.1 -45.4 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 t 49.68 42.35 23.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.51 -73.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -67.44 105.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -78.75 -38.12 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -39.64 -30.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.75 -46.45 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -67.77 -40.22 84.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -46.89 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -72.62 -33.07 66.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.88 -44.55 89.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -71.46 -43.1 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -66.53 -44.28 82.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -65.8 -46.7 77.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -61.2 -47.41 86.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.91 -36.88 60.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.541 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 23.2 mt -63.35 -50.07 71.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -67.95 -40.35 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.675 ' O ' HG22 ' A' ' 105' ' ' THR . 44.4 t80 -66.16 -42.61 88.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -72.87 -41.1 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.915 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.81 -41.97 74.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.072 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.721 HD21 HD13 ' A' ' 179' ' ' ILE . 23.4 mt -62.28 -50.32 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.4 t -64.6 -31.2 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.96 -35.56 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.37 -36.43 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.516 HD23 HG13 ' A' ' 122' ' ' VAL . 3.3 mp -73.1 0.61 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.0 m -89.87 -25.26 21.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -117.81 116.12 36.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 111.177 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.3 Cg_endo -69.72 3.52 2.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -54.6 -52.06 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' H ' ' A' ' 114' ' ' SER . 6.3 p -91.94 -58.69 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.676 ' H ' HG13 ' A' ' 113' ' ' VAL . 68.0 m -92.37 69.59 5.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -60.45 -46.5 89.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.33 -42.42 98.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 114' ' ' SER . 11.8 tp -60.38 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 57.7 t80 -56.09 -50.53 70.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.92 -40.9 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.557 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.5 mt -76.05 -28.77 57.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 118' ' ' TYR . 2.9 t-20 64.62 54.28 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.516 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.9 150.25 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -131.44 121.47 24.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 mt -67.8 146.51 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.4 t -111.75 -43.99 3.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -167.39 158.59 11.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.9 t -125.44 134.81 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 137' ' ' ARG . 7.6 p -112.89 118.75 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.771 HD22 HD22 ' A' ' 96' ' ' LEU . 15.9 tp -110.55 141.45 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.4 p -69.57 152.82 96.16 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -25.88 28.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.17 2.25 40.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 58.1 25.73 12.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.9 t -90.27 -76.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.78 149.15 22.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.57 ' SG ' HD13 ' A' ' 100' ' ' LEU . 18.7 t -126.87 101.6 6.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 128' ' ' SER . 1.6 mpt_? -90.59 141.35 28.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -129.98 128.59 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.93 132.06 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.51 ' CH2' HG22 ' A' ' 142' ' ' THR . 32.6 p-90 -129.01 148.61 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -54.86 126.21 23.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.51 HG22 ' CH2' ' A' ' 140' ' ' TRP . 39.1 p -123.87 159.72 29.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.518 HG23 ' NE2' ' A' ' 148' ' ' GLN . 68.4 p -91.16 172.71 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.51 36.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -134.25 122.33 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.58 -44.32 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.518 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.2 tm0? -69.52 -44.9 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.0 -50.03 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -61.66 -50.38 72.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.557 ' HG2' HD13 ' A' ' 120' ' ' LEU . 28.1 mtp -61.82 -45.54 93.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.4 -37.24 85.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.48 86.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 120' ' ' LEU . 5.4 p -71.08 -41.14 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 62.9 tp -69.28 -45.69 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -62.11 -52.28 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -16.16 60.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.2 m -101.67 17.07 23.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.53 -47.75 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.99 -60.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.04 -44.22 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 178' ' ' PRO . 18.7 ttm180 -55.79 -45.9 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.86 -42.34 90.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 113' ' ' VAL . 35.3 mt -56.06 -34.87 66.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.915 HD22 ' HB1' ' A' ' 103' ' ' ALA . 51.0 mt -77.63 -36.36 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.48 -36.82 4.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 168' ' ' MET . 11.2 t -37.68 -44.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.4 OUTLIER -53.42 160.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.9 mp0 -116.24 -43.62 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.2 p -34.12 -64.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.658 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -49.54 163.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -106.57 -59.2 1.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -130.25 131.3 45.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.432 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 29.6 t -105.32 99.68 21.68 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.9 Cg_endo -69.77 170.09 17.39 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.444 ' HA ' ' NE ' ' A' ' 164' ' ' ARG . 53.7 Cg_endo -69.79 133.84 26.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.721 HD13 HD21 ' A' ' 104' ' ' LEU . 62.0 mt -92.06 128.93 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 63.2 t -125.89 115.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 84.9 m-85 -82.02 134.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 72.0 t -128.46 136.93 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -73.86 128.0 34.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.86 97.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.5 100.67 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -44.83 -66.47 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -138.97 152.24 47.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -105.45 130.87 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -123.72 91.52 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -136.3 156.52 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -95.83 159.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.18 44.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 14.0 mt -125.23 131.94 53.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -136.69 110.19 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -116.32 173.55 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 196' ' ' LEU . 2.4 pt? -126.46 146.33 50.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 8.4 tp -92.37 116.6 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -110.16 41.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.32 89.93 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -165.21 118.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -130.61 169.44 15.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.1 m -90.79 108.61 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -73.96 132.91 16.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 104.38 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 3.3 m -60.61 128.73 38.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 39.8 t -156.67 107.23 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.527 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.6 t -124.58 134.15 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.4 p -86.93 169.74 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.16 -155.66 19.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.6 p -133.76 154.14 51.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.5 p -80.25 -49.55 11.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.89 -86.24 0.42 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -56.15 161.05 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -89.82 -44.86 9.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.9 mp0 -56.26 -42.48 77.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.523 ' OD2' HD11 ' A' ' 93' ' ' LEU . 4.5 t70 -41.11 -43.6 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -65.29 -34.82 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.3 -47.74 66.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -72.98 -32.41 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD11 ' OD2' ' A' ' 89' ' ' ASP . 30.8 mt -65.68 -45.05 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -72.04 -42.36 66.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.92 91.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 129' ' ' LEU . 5.4 tt -67.31 -47.06 71.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -47.03 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.54 59.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.597 HD13 ' HG ' ' A' ' 173' ' ' LEU . 22.4 mt -57.06 -49.42 75.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.954 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 96' ' ' LEU . 30.4 mt -65.12 -37.68 88.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 105' ' ' THR . 60.6 t80 -65.79 -45.0 84.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -71.24 -43.39 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.87 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.716 ' HB3' HD11 ' A' ' 124' ' ' LEU . 31.0 mt -67.78 -50.02 59.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 101' ' ' TYR . 13.1 t -67.78 -23.21 65.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.27 -41.14 61.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.15 -35.1 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 mp -72.85 1.57 8.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 97.8 m -97.38 -10.84 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 113.1 24.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.169 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.7 2.75 3.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.756 2.304 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -57.26 -51.44 69.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 166' ' ' LEU . 6.9 p -91.18 -58.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.673 ' H ' HG13 ' A' ' 113' ' ' VAL . 55.4 m -92.46 69.9 5.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -45.98 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -64.29 -41.7 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 156' ' ' LEU . 13.8 tp -61.66 -51.17 69.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 42.8 t80 -52.98 -47.33 68.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -23.25 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.438 HD11 HG11 ' A' ' 155' ' ' VAL . 13.9 mt -90.12 -22.43 21.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.9 m120 62.11 54.42 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -84.96 145.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.05 116.9 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.2 mt -50.93 159.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 t -130.71 -36.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -166.28 152.82 9.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 88.5 t -127.36 127.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 t -111.25 116.17 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 96' ' ' LEU . 21.8 tp -108.93 141.33 41.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 69.5 p -69.59 152.2 96.34 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.625 0.726 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.49 23.53 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.279 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -81.64 1.7 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 92' ' ' ARG . 8.9 m-85 59.75 26.28 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 4.8 m -90.2 -76.09 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.32 21.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.492 ' SG ' HD13 ' A' ' 100' ' ' LEU . 11.6 t -126.42 101.82 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.14 140.3 31.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.99 122.62 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -100.99 130.43 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.568 ' CZ3' HG22 ' A' ' 142' ' ' THR . 12.0 p-90 -122.75 159.26 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -66.69 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.568 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 62.8 p -120.88 172.28 8.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.581 HG23 ' NE2' ' A' ' 148' ' ' GLN . 77.6 p -102.18 175.48 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -87.94 30.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.9 t -127.98 128.74 45.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.02 87.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -61.81 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.581 ' NE2' HG23 ' A' ' 143' ' ' THR . 1.4 tm0? -68.47 -37.19 79.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -73.0 -38.04 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.98 -50.02 63.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.2 t-160 -65.34 -50.66 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.482 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 48.1 mtp -59.04 -46.21 88.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.53 -36.82 83.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.53 -44.79 77.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 120' ' ' LEU . 7.1 p -71.25 -42.41 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.541 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 49.9 tp -68.98 -40.04 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.17 -52.06 66.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 155' ' ' VAL . 2.3 ptp85 -65.62 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -95.09 8.36 43.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.06 -47.56 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.62 -60.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -57.49 -43.09 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.1 mtm -57.0 -42.32 80.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -56.0 -44.77 78.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.9 -42.05 90.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 113' ' ' VAL . 52.4 mt -57.19 -34.67 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.87 HD22 ' HB1' ' A' ' 103' ' ' ALA . 17.2 mt -75.07 -39.72 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' SER . 3.8 mtt -43.46 -35.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' MET . 33.1 t -37.83 -50.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.69 127.44 32.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -86.58 -28.3 23.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 19.9 p -49.21 -19.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.597 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -95.05 129.12 42.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -76.04 -69.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -121.32 128.64 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.435 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 48.2 t -108.2 99.42 31.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.443 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.9 Cg_endo -69.73 170.09 17.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.01 26.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.517 HD13 HD21 ' A' ' 104' ' ' LEU . 61.5 mt -91.98 136.09 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 59.9 t -130.42 117.9 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.541 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 64.1 m-85 -82.15 131.24 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.0 t -130.69 142.04 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.52 128.87 37.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -39.19 -44.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -76.7 153.85 34.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.92 100.89 2.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.539 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.96 115.26 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -84.97 138.13 32.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -111.58 39.26 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 190' ' ' LEU . 4.4 pp -84.84 20.96 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -93.78 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -111.89 95.58 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.74 157.13 28.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -113.89 129.66 56.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -105.95 115.76 30.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 21.7 tp -104.29 87.36 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 1.6 pp -157.85 151.83 24.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.75 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.25 170.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.42 139.51 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.69 120.32 41.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 49.1 m -147.43 158.12 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 129.86 -168.05 21.41 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -23.12 31.18 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.63 2.22 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 9.1 m -39.36 150.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 66.3 m -133.16 -52.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.536 -0.225 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.8 m 43.59 42.18 3.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.0 t -74.38 -51.56 14.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.62 172.52 41.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t 62.9 41.87 8.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -98.14 103.79 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 86' ' ' ARG . . . -97.76 115.11 5.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 85' ' ' GLY . 98.8 mtt180 -34.69 121.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -87.89 -40.13 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 91' ' ' ALA . 2.1 pp20? -62.27 -51.08 69.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -38.84 -49.67 1.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -65.61 -38.86 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.5 -46.02 90.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -69.2 -32.27 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 133' ' ' PHE . 31.9 mt -64.68 -45.15 87.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -72.09 -44.86 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.95 74.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -63.64 -46.37 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -62.26 -47.99 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.03 -35.81 79.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -65.21 -48.28 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 96' ' ' LEU . 39.7 mt -66.55 -39.76 88.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.747 ' O ' HG22 ' A' ' 105' ' ' THR . 54.8 t80 -66.17 -42.57 88.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -70.65 -42.26 71.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.95 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.31 -40.12 74.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 179' ' ' ILE . 29.5 mt -63.04 -50.49 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.0 -32.46 74.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.22 -36.66 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD13 ' HG2' ' A' ' 163' ' ' MET . 21.8 mt -68.59 -38.88 81.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 4.1 mp -71.94 1.22 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 78.9 m -90.99 -27.69 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 m -115.91 118.65 38.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.586 0.708 . . . . 0.0 111.099 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.6 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.73 -51.66 37.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 166' ' ' LEU . 5.8 p -91.53 -59.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.684 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.2 m -92.69 69.3 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -59.05 -46.93 86.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.72 -42.02 91.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 156' ' ' LEU . 14.2 tp -62.48 -43.04 99.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.514 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 78.2 t80 -60.32 -46.33 90.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -50.7 -28.73 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 155' ' ' VAL . 17.7 mt -83.3 -21.75 33.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.62 36.44 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.6 145.95 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.7 124.63 28.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.1 149.55 47.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.6 t -115.96 -40.39 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 159.56 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -126.58 130.67 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.8 m -110.08 116.05 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.3 tp -108.67 141.2 40.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 19.4 p -69.66 154.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.712 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -32.21 18.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -85.21 14.95 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 129' ' ' LEU . 20.0 m-85 47.18 30.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -90.36 -76.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.61 150.33 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.4 t -123.29 101.69 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -85.83 138.69 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.22 123.38 28.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -101.01 129.63 46.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 142' ' ' THR . 13.2 p-90 -119.57 143.89 47.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -49.77 119.56 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 140' ' ' TRP . 34.9 p -124.96 163.62 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 7.7 p -102.49 -178.93 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.4 tp -87.03 36.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.4 m -134.22 121.92 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.47 -28.22 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -59.38 -48.03 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.4 pp0? -70.72 -37.5 73.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 15.3 m-80 -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.8 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.5 t60 -64.11 -50.63 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.8 mtp -62.62 -44.07 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 26.4 tt0 -62.6 -38.97 92.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.31 -44.76 86.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 120' ' ' LEU . 6.8 p -71.45 -41.77 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.737 HD13 HD11 ' A' ' 117' ' ' LEU . 54.3 tp -67.96 -43.54 78.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -60.03 -50.32 74.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 159' ' ' SER . 2.7 ptp180 -60.41 -30.14 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 158' ' ' ARG . 1.9 m -89.81 17.3 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.01 -45.69 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -44.89 -61.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -57.11 -42.5 80.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . 0.443 ' HG2' HD13 ' A' ' 107' ' ' LEU . 5.0 mtm -56.97 -43.96 82.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -56.32 -46.11 80.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -66.08 -42.82 88.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.712 HD11 HG21 ' A' ' 113' ' ' VAL . 36.9 mt -55.63 -34.92 65.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.95 HD22 ' HB1' ' A' ' 103' ' ' ALA . 14.1 mt -75.85 -39.79 55.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 14.2 mtt -40.94 -31.59 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 t -39.79 -52.15 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -43.99 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 172' ' ' THR . 13.6 mm100 -124.45 -47.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 171' ' ' GLN . 45.8 p -36.86 -47.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.691 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.1 pt? -64.24 156.85 27.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -88.9 -72.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -122.03 163.41 19.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 173' ' ' LEU . 61.6 t -124.65 99.47 35.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.78 169.83 18.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 132.71 23.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.512 HD13 HD21 ' A' ' 104' ' ' LEU . 54.0 mt -91.92 126.79 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 55.9 t -124.34 115.85 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 71.8 m-85 -81.88 124.45 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 73.6 t -121.35 144.09 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -70.83 127.89 34.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -38.66 -41.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -88.12 149.68 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -54.91 -107.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -138.4 128.36 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -67.3 107.54 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -99.68 85.14 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 10.1 tp -136.0 155.91 49.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -132.48 173.5 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -106.87 89.18 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -87.64 41.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -69.2 100.54 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -124.59 -51.39 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.66 104.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 4.0 pp -119.22 143.66 47.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -131.53 89.43 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.83 132.74 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -158.81 141.98 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -96.05 172.56 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 1.3 t -175.0 121.69 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -170.64 126.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 14.9 t -79.02 153.06 30.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 76.3 p -132.09 84.71 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.0 t -164.49 148.46 9.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.5 t -81.79 -52.91 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.66 147.33 4.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.1 p -157.39 123.2 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 t -72.73 103.84 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.01 -88.9 0.95 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.39 173.31 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -19.4 31.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 18.7 mm-40 -81.7 -42.94 19.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -41.27 -46.23 3.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.52 -37.35 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.73 -46.93 67.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.478 ' HD3' ' NE ' ' A' ' 174' ' ' ARG . 1.5 tpm_? -70.71 -32.52 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 23.8 mt -65.18 -45.08 86.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm-85 -72.05 -44.85 62.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.14 92.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.9 tt -66.14 -47.12 75.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -59.5 -48.28 82.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.55 -40.56 67.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 173' ' ' LEU . 28.5 mt -60.67 -45.67 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 96' ' ' LEU . 25.0 mt -66.52 -38.34 86.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.609 ' O ' HG22 ' A' ' 105' ' ' THR . 80.6 t80 -66.23 -44.08 84.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -73.35 -40.56 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.873 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.78 -42.64 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 179' ' ' ILE . 57.5 mt -64.9 -49.94 68.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.2 t -63.99 -28.4 69.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.5 -42.51 74.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.66 -35.84 81.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 117' ' ' LEU . 3.2 mp -75.4 -1.32 23.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -93.33 -18.81 22.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 112' ' ' GLU . 3.0 m -122.15 117.63 29.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.78 4.01 2.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.248 . . . . 0.0 112.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' H ' HG22 ' A' ' 110' ' ' THR . 3.9 mm-40 -53.54 -53.4 52.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.802 HG21 HD11 ' A' ' 166' ' ' LEU . 8.1 p -93.46 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.686 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -93.46 69.55 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.67 -46.58 89.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.45 -42.4 95.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 122' ' ' VAL . 20.9 tp -63.33 -40.65 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 82.8 t80 -61.0 -45.98 92.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.88 -33.72 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 152' ' ' MET . 10.9 mt -79.38 -24.43 42.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 61.48 53.93 3.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 117' ' ' LEU . 7.6 p -80.74 147.93 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -134.94 117.04 15.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.6 mt -55.97 159.86 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.7 p -129.21 -38.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 pttm -165.37 154.49 12.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.1 t -125.89 126.93 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 t -106.89 115.62 30.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 133' ' ' PHE . 16.2 tp -108.65 141.0 41.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 22.5 p -69.8 154.51 94.66 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.567 0.699 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.06 11.53 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -82.92 13.28 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 129' ' ' LEU . 13.1 m-85 50.27 31.27 5.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 73.7 p -90.18 -77.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.82 149.25 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.402 ' SG ' HD13 ' A' ' 100' ' ' LEU . 6.9 t -122.86 101.77 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.42 136.79 33.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.62 123.02 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -101.1 129.01 46.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 142' ' ' THR . 19.8 p-90 -121.71 142.29 50.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -47.95 122.25 4.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.413 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 1.1 p -130.78 172.34 12.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 52.8 p -104.1 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.7 tt -90.53 32.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -127.59 122.44 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -62.12 -33.61 74.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -64.25 -48.0 77.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 27.1 tp60 -65.97 -36.93 84.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 44.9 m-20 -72.36 -36.63 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.52 -50.07 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.442 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 2.5 t-160 -63.48 -49.77 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.697 ' HG2' HD13 ' A' ' 120' ' ' LEU . 17.4 mtp -64.99 -42.47 94.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 23.9 tt0 -62.47 -40.49 96.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.75 93.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.37 -42.64 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.545 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 57.9 tp -67.17 -40.75 86.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -61.38 -52.02 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -61.87 -21.16 64.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -96.93 17.99 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.17 -56.08 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.67 -57.9 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -56.82 -44.99 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.3 mtm -56.99 -44.83 83.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -55.76 -45.65 78.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -66.25 -41.87 89.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.802 HD11 HG21 ' A' ' 113' ' ' VAL . 30.2 mt -56.14 -34.7 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.873 HD22 ' HB1' ' A' ' 103' ' ' ALA . 49.0 mt -79.49 -34.26 41.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 169' ' ' SER . 8.3 mtt -46.91 -39.05 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 168' ' ' MET . 67.9 m -37.0 -50.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.456 ' CD ' ' N ' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -57.06 100.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 172' ' ' THR . 10.2 tp60 -53.31 -37.99 62.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 171' ' ' GLN . 19.4 p -36.39 -37.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 99' ' ' LEU . 3.4 mm? -85.21 114.83 22.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.478 ' NE ' ' HD3' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -88.79 -30.75 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 174' ' ' ARG . 37.1 t30 -134.24 108.84 8.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.436 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 46.9 t -111.74 99.4 44.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.59 0.71 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.2 Cg_endo -69.75 170.1 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.86 29.01 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.534 HD13 HD21 ' A' ' 104' ' ' LEU . 62.2 mt -92.57 130.91 40.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.03 118.82 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.545 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 58.9 m-85 -82.34 122.86 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.84 139.8 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -70.99 129.39 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -41.33 -39.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.1 157.58 25.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -63.21 -117.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -138.58 147.7 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.95 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -48.86 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -121.35 86.48 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.2 mp -48.83 122.98 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -125.21 137.94 54.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.66 76.15 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -83.94 43.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -91.65 86.97 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -113.94 156.52 23.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 15.8 tp -111.91 129.79 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.91 115.79 4.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -131.01 94.21 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.8 m -102.55 138.19 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -150.82 164.6 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -139.53 128.21 23.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 52.8 p -151.18 114.31 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -153.02 154.0 25.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.77 2.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 22.2 m -133.48 -44.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 5.4 m -134.04 156.95 47.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.8 m -87.47 129.27 35.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.5 t -52.97 -44.17 66.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.15 -44.37 0.64 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.2 m -133.83 159.71 39.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -88.36 149.9 23.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.89 -153.34 5.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -52.58 157.33 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -73.0 -33.7 65.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 91' ' ' ALA . 46.0 mp0 -70.84 -42.3 70.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -40.75 -44.82 2.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -67.84 -33.15 74.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.91 -47.98 64.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -73.0 -34.07 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 129' ' ' LEU . 28.3 mt -65.59 -45.19 84.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -72.07 -40.93 67.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -67.56 -45.84 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.4 tt -66.52 -47.06 74.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -62.76 -45.88 90.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.98 -35.73 61.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.535 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 22.1 mt -66.88 -49.12 66.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 96' ' ' LEU . 24.7 mt -64.0 -38.37 90.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' THR . 59.8 t80 -67.17 -40.26 86.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -74.15 -41.57 61.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.892 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.11 -42.81 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.776 HD21 HD13 ' A' ' 179' ' ' ILE . 36.7 mt -63.12 -50.18 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.6 t -64.88 -30.3 71.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.67 -38.64 84.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.15 -39.48 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 mp -71.79 -0.64 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 62.2 m -91.8 -24.3 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.23 117.24 36.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 0.0 111.117 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.85 3.31 2.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.09 -52.59 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.131 HG21 HD11 ' A' ' 166' ' ' LEU . 9.3 p -92.64 -56.1 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.68 ' N ' HG13 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -92.87 66.52 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -60.32 -47.07 87.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -63.65 -42.13 98.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.661 HD11 HD13 ' A' ' 156' ' ' LEU . 14.0 tp -63.07 -47.64 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 65.1 t80 -53.47 -51.74 61.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -42.18 -36.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.622 HD11 HG11 ' A' ' 155' ' ' VAL . 17.9 mt -71.87 -35.18 69.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 118' ' ' TYR . 26.6 t30 74.24 47.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 152' ' ' MET . 12.7 p -79.89 152.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -140.81 113.74 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.607 HD12 ' HB ' ' A' ' 105' ' ' THR . 40.4 mt -50.12 149.85 2.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -123.41 -40.46 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 16.5 ttpt -166.02 148.4 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.472 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 79.1 t -128.73 127.55 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.6 p -108.95 125.11 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.656 HD21 ' CD1' ' A' ' 133' ' ' PHE . 14.8 tp -110.48 141.53 43.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 11.3 p -69.41 155.94 92.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.28 20.71 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.86 7.79 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.656 ' CD1' HD21 ' A' ' 129' ' ' LEU . 29.1 m-85 53.91 28.97 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 31.1 t -90.29 -75.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.5 146.8 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 37.9 t -125.06 101.77 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -85.15 141.24 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.03 123.62 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -100.84 133.82 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.615 ' CZ3' HG22 ' A' ' 142' ' ' THR . 35.2 p-90 -127.42 150.68 49.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER -57.64 121.24 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.615 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 82.5 p -118.13 166.29 12.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 22.5 p -92.64 179.18 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 144' ' ' LEU . 1.5 tt -93.6 35.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t -138.93 121.19 15.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.02 87.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -59.0 -48.16 82.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -43.47 88.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.53 -35.98 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.8 85.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.901 ' O ' HG12 ' A' ' 155' ' ' VAL . 6.6 t60 -60.29 -51.08 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.532 ' HG2' HD22 ' A' ' 120' ' ' LEU . 65.9 mtp -65.16 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.64 -43.12 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.24 72.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.901 HG12 ' O ' ' A' ' 151' ' ' HIS . 3.9 p -70.76 -39.98 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.661 HD13 HD11 ' A' ' 117' ' ' LEU . 55.0 tp -69.0 -44.38 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -62.16 -52.35 64.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -17.73 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.0 m -96.36 13.35 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -86.82 -41.86 13.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.88 -60.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -56.92 -42.86 80.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 10.4 mtm -57.23 -44.57 83.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.93 -46.15 78.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.24 -41.79 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.131 HD11 HG21 ' A' ' 113' ' ' VAL . 50.4 mt -56.45 -34.66 67.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.892 HD22 ' HB1' ' A' ' 103' ' ' ALA . 52.4 mt -80.0 -32.54 39.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 169' ' ' SER . 7.1 mtt -49.75 -39.1 36.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' MET . 1.5 t -36.92 -39.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -51.41 171.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.3 mt-30 -125.77 -57.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 171' ' ' GLN . 29.7 p -34.48 -55.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 1.093 HD23 HG22 ' A' ' 176' ' ' VAL . 9.4 tp -49.84 127.49 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.59 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -132.12 139.22 48.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 1.093 HG22 HD23 ' A' ' 173' ' ' LEU . 57.5 t -107.83 99.23 28.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.448 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.2 Cg_endo -69.74 170.09 17.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 133.73 26.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.317 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.776 HD13 HD21 ' A' ' 104' ' ' LEU . 62.8 mt -91.91 127.32 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.16 115.2 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.568 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 53.6 m-85 -81.99 126.9 32.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.41 141.45 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.04 128.01 34.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -43.59 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 162.41 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -100.99 98.2 1.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -90.96 106.62 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -70.04 107.82 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -92.74 44.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.87 86.37 7.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -111.05 89.95 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.86 90.93 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.675 HD23 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -111.94 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.9 123.45 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -132.51 127.16 34.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.6 pp -100.38 158.31 15.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 197' ' ' LEU . 4.2 pp -174.75 170.65 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -138.87 137.52 36.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 6.3 p -137.14 139.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -146.98 109.04 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -121.64 125.86 47.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 7.2 m -139.97 160.51 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -119.74 123.19 5.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.53 35.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.389 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 31.3 t -159.1 125.47 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 28.8 t -85.68 -57.58 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 t -117.48 -58.72 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -53.1 120.07 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.97 -173.6 25.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -45.43 147.48 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.7 p -47.39 119.88 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' ARG . . . -178.56 -67.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' GLY . 87.0 mtt180 -35.47 136.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -64.58 -42.75 95.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' ALA . 5.7 mm-40 -46.18 -47.49 17.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.58 -48.64 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.57 -34.46 78.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -69.68 -48.01 61.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -72.44 -33.35 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 24.1 mt -65.44 -44.91 85.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -72.13 -42.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.43 -45.73 82.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' CD1' ' A' ' 133' ' ' PHE . 5.3 tt -66.64 -46.44 75.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.69 -47.98 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.07 -39.97 72.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.409 ' CG ' ' O ' ' A' ' 95' ' ' ALA . 25.9 mt -60.12 -45.51 92.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 mt -67.66 -37.89 83.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.717 ' O ' HG22 ' A' ' 105' ' ' THR . 37.1 t80 -66.47 -41.96 88.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.64 -42.65 70.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.883 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.08 -42.18 76.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.44 -49.9 71.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.8 t -67.48 -25.74 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.28 -38.03 71.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.06 -38.49 91.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.0 mp -69.78 -1.05 8.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 66.5 m -89.88 -30.92 17.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.2 114.75 50.72 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.3 Cg_endo -69.74 -0.8 7.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.43 -51.9 50.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 166' ' ' LEU . 10.3 p -91.82 -54.94 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.666 ' N ' HG13 ' A' ' 113' ' ' VAL . 35.4 p -91.87 67.22 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.16 -47.4 86.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.47 -42.24 87.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -60.55 -51.28 70.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 51.9 t80 -54.19 -53.15 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -44.42 -31.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 155' ' ' VAL . 15.5 mt -79.05 -32.22 44.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' TYR . 16.8 t30 73.57 54.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.426 HG11 HD11 ' A' ' 117' ' ' LEU . 7.5 p -88.82 153.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 122' ' ' VAL . 9.6 mp0 -143.69 126.48 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.1 mt -61.37 156.83 18.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 p -124.29 -36.06 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 27.0 ttmt -174.18 147.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 70.5 t -117.05 130.02 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 42.1 t -111.12 114.45 27.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.497 HD22 HD22 ' A' ' 96' ' ' LEU . 16.1 tp -109.49 141.2 42.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 2.9 p -69.84 154.05 95.01 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.615 0.721 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.55 30.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.09 0.51 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.588 ' CD1' HD13 ' A' ' 96' ' ' LEU . 25.2 m-85 59.82 25.88 14.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 49.8 m -90.13 -75.69 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.38 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 30.1 t -126.52 101.89 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.12 141.53 30.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.04 124.77 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.24 133.53 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.623 ' CH2' HG22 ' A' ' 142' ' ' THR . 38.6 p-90 -128.66 142.12 51.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -51.9 117.89 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.623 HG22 ' CH2' ' A' ' 140' ' ' TRP . 15.9 p -111.09 174.91 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.469 HG23 ' NE2' ' A' ' 148' ' ' GLN . 38.5 p -113.14 162.44 15.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mp -82.92 36.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.9 m -132.71 114.74 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -55.18 -38.33 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -60.06 -44.56 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' NE2' ' SD ' ' A' ' 152' ' ' MET . 1.3 tm0? -72.07 -40.2 68.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 8.4 m-20 -67.4 -36.0 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.63 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.441 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.6 t60 -67.04 -49.83 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.484 ' SD ' ' NE2' ' A' ' 148' ' ' GLN . 18.8 mtp -61.87 -45.79 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 19.7 tt0 -62.0 -39.41 92.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.44 -44.89 93.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.575 HG11 HD11 ' A' ' 120' ' ' LEU . 6.1 p -71.67 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 56.5 tp -65.7 -42.58 91.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.97 -47.18 85.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -71.24 -19.73 62.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.1 m -95.2 17.19 14.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.506 ' HB2' ' HE2' ' A' ' 181' ' ' PHE . . . -88.32 -56.94 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.68 -57.24 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -56.76 -45.19 82.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.2 mtm -57.32 -40.25 77.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 13.7 ttp-105 -56.59 -46.03 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -65.85 -41.98 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 113' ' ' VAL . 52.3 mt -56.89 -34.85 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.883 HD22 ' HB1' ' A' ' 103' ' ' ALA . 13.2 mt -76.16 -37.71 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 19.2 mtt -43.16 -28.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.9 t -46.37 -42.01 14.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -45.54 171.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 32.7 tt0 -125.81 -57.03 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 90.1 m -35.49 -58.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 175' ' ' ASN . 2.3 tt -46.53 143.51 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.624 ' N ' HD23 ' A' ' 173' ' ' LEU . 10.8 ptm180 -94.89 -49.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.691 ' O ' HD21 ' A' ' 173' ' ' LEU . 7.1 t-20 -138.72 128.82 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.664 HG22 HD13 ' A' ' 173' ' ' LEU . 52.4 t -101.74 99.4 11.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.616 0.722 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.7 Cg_endo -69.76 170.07 17.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.22 25.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.719 2.28 . . . . 0.0 112.336 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.817 HD13 HD21 ' A' ' 104' ' ' LEU . 62.6 mt -92.05 129.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 29.9 t -124.47 118.89 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.566 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 71.0 m-85 -81.97 127.82 33.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.5 t -130.5 143.96 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -71.5 129.05 37.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.04 -57.04 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -91.24 174.29 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -137.79 110.26 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.95 96.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -91.51 101.85 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -115.43 92.58 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.3 tp -70.32 109.72 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -75.17 137.75 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -87.17 81.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.634 ' H ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -87.0 42.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.06 104.44 7.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 195' ' ' GLN . 0.0 OUTLIER -127.97 105.24 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 196' ' ' LEU . 2.5 mm? -112.91 93.39 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 9.3 mt -143.96 148.66 35.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -158.14 113.15 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 98.2 t -78.16 115.7 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -139.44 111.25 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -133.52 118.62 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 6.2 t -107.47 126.87 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -178.6 82.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 120.72 7.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 64.3 p -99.92 133.39 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 22.3 t -90.42 -60.9 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' SER . 74.2 m -119.19 -44.91 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 80' ' ' SER . 5.4 t -35.35 -56.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.98 -50.73 0.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -146.19 139.19 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 t -58.4 146.18 35.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.48 82.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -60.02 -177.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -39.03 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 91' ' ' ALA . 10.9 pt-20 -50.7 -48.09 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 88' ' ' GLU . 5.9 p-10 -37.64 -43.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -66.7 -40.28 88.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.51 -45.68 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -72.46 -35.53 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.593 HD23 ' CE1' ' A' ' 133' ' ' PHE . 30.8 mt -65.95 -45.17 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -72.08 -39.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -67.94 -44.39 76.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 96' ' ' LEU . 4.3 tt -67.94 -43.42 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.61 -46.22 73.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.98 -39.14 74.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.523 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.551 HD13 ' HG ' ' A' ' 173' ' ' LEU . 26.6 mt -62.54 -46.83 86.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 96' ' ' LEU . 33.4 mt -65.37 -37.73 87.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.05 -44.49 92.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.62 -47.15 67.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.897 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -64.71 -37.74 88.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 124' ' ' LEU . 30.0 mt -66.32 -49.51 66.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.1 t -70.42 -19.68 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.49 -43.22 50.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.31 -35.85 80.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.9 mp -73.79 -3.79 30.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 43.9 m -92.0 -16.94 25.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 m -122.17 117.92 29.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.507 ' HB3' ' CD2' ' A' ' 118' ' ' TYR . 54.4 Cg_endo -69.67 2.43 3.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -56.22 -50.89 69.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -86.56 -68.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.75 ' H ' HG13 ' A' ' 113' ' ' VAL . 3.1 m -90.79 76.49 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.1 -47.31 85.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.41 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.506 HD11 HD13 ' A' ' 156' ' ' LEU . 27.7 tp -62.05 -39.09 91.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 111' ' ' PRO . 57.2 t80 -65.61 -43.77 88.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -52.88 -18.35 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 155' ' ' VAL . 29.4 mt -90.08 -23.36 21.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 64.87 45.79 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.44 144.07 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -135.48 125.7 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 104' ' ' LEU . 27.8 mt -65.98 149.97 49.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.6 t -119.35 -32.57 4.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -173.79 158.05 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 90.9 t -126.92 133.24 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 m -110.95 113.66 26.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 133' ' ' PHE . 20.0 tp -106.41 141.18 38.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 135' ' ' ALA . 43.4 p -69.79 151.53 96.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.577 0.703 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -24.11 30.13 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -86.84 4.06 42.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 93' ' ' LEU . 3.7 m-85 57.01 25.14 10.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -75.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.44 149.33 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.6 t -123.97 101.86 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 137' ' ' ARG . 0.1 OUTLIER -86.52 140.11 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.46 128.32 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.19 134.84 44.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.686 ' CZ3' HG22 ' A' ' 142' ' ' THR . 24.5 p-90 -129.26 142.16 50.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -51.39 125.66 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.686 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 50.2 p -128.35 165.96 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.44 HG23 ' NE2' ' A' ' 148' ' ' GLN . 2.9 p -97.42 -177.49 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.38 5.85 49.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 107.14 19.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.14 -24.09 16.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.13 -46.73 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.44 ' NE2' HG23 ' A' ' 143' ' ' THR . 0.7 OUTLIER -70.35 -37.7 74.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -62.68 -40.7 97.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.66 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' C ' ' CD2' ' A' ' 151' ' ' HIS . 3.3 t60 -64.5 -48.92 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.421 ' HG2' HD13 ' A' ' 120' ' ' LEU . 36.4 mtp -63.77 -44.58 92.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -62.21 -39.16 91.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.36 94.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 120' ' ' LEU . 4.8 p -71.15 -43.69 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 54.9 tp -66.88 -40.27 87.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -61.53 -51.46 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -66.99 -24.77 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.9 m -90.15 9.04 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -85.4 -48.88 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.33 -59.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -57.13 -41.33 78.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.0 mtm -57.0 -41.71 78.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -56.3 -45.86 80.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -63.95 -45.87 87.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 25.7 mt -55.17 -34.95 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.897 HD22 ' HB1' ' A' ' 103' ' ' ALA . 16.5 mt -75.53 -34.61 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.56 -32.06 62.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 23.0 t -41.41 -35.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.98 170.66 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 172' ' ' THR . 22.9 tt0 -118.51 -50.32 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 171' ' ' GLN . 20.7 m -34.84 -58.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.551 ' HG ' HD13 ' A' ' 99' ' ' LEU . 6.6 mt -53.91 122.91 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.61 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -115.19 124.46 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.434 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 49.7 t -105.03 99.56 20.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 54.1 Cg_endo -69.8 169.89 17.92 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.252 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 134.27 27.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.684 HD13 HD21 ' A' ' 104' ' ' LEU . 63.1 mt -91.9 131.0 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 39.4 t -127.73 116.4 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.1 m-85 -82.02 128.78 34.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 54.1 t -125.03 142.6 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.15 128.66 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.81 -60.55 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -121.15 128.81 52.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -95.75 75.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -46.68 118.86 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -119.56 138.37 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -123.98 41.41 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.0 tp -86.09 81.49 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -113.81 167.09 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -92.54 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 193' ' ' LEU . 0.4 OUTLIER -79.38 135.6 36.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . 0.43 ' N ' HD12 ' A' ' 193' ' ' LEU . 2.8 m-20 -133.72 161.16 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -123.01 114.63 20.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 7.3 mp -94.43 145.2 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 3.9 pp -144.95 162.14 37.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -159.85 121.28 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.27 121.7 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -133.25 89.11 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.97 -45.25 13.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 7.9 t 59.66 42.01 17.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -146.36 70.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 104.49 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 25.8 t -98.59 156.33 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 31.9 p -152.95 169.06 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.3 p -93.88 117.86 30.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 m -122.0 159.47 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' SER . . . -73.19 70.24 1.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.5 t -38.16 133.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -85.42 102.47 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 126.71 -43.67 1.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.9 mtt-85 -47.7 126.12 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 33.8 tptt -65.16 -55.66 17.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . 13.2 pt-20 -36.68 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -43.26 -56.96 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -56.76 -39.3 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.98 97.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.46 -38.61 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 133' ' ' PHE . 41.0 mt -65.61 -45.14 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -39.96 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 -47.36 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 100' ' ' LEU . 5.3 tt -65.12 -47.03 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -59.38 -48.04 83.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.84 -35.82 65.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.9 mt -64.94 -47.71 76.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 HD21 ' A' ' 96' ' ' LEU . 39.9 mt -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.867 ' O ' HG22 ' A' ' 105' ' ' THR . 44.6 t80 -65.39 -38.36 89.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.61 -42.32 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.53 -39.61 77.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.632 HD21 HD13 ' A' ' 179' ' ' ILE . 27.8 mt -65.66 -50.22 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.1 t -65.55 -28.21 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.07 -37.58 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.3 mt -68.17 -37.57 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -72.29 1.68 7.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 90.6 m -93.3 -33.45 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.54 116.18 59.46 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.7 2.43 3.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.82 -52.52 60.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HD11 ' A' ' 166' ' ' LEU . 9.2 p -92.49 -56.15 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 39.0 p -92.6 71.13 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -59.99 -47.84 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.87 -42.04 86.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 120' ' ' LEU . 13.6 tp -60.47 -46.55 89.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.33 -49.95 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -49.2 -22.23 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 155' ' ' VAL . 14.0 mt -89.81 -25.72 20.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 31.0 m120 63.67 47.35 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.469 HG13 HD23 ' A' ' 108' ' ' LEU . 3.5 p -73.29 141.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 119.27 21.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -62.86 156.83 23.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -122.69 -31.94 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -174.33 155.07 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -123.06 132.53 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -109.26 113.18 25.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.549 HD21 ' CE1' ' A' ' 133' ' ' PHE . 12.7 tp -107.25 141.07 39.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 38.3 p -69.92 153.79 95.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.26 22.21 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -85.02 16.74 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.549 ' CE1' HD21 ' A' ' 129' ' ' LEU . 9.3 m-85 44.52 27.63 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 38.0 t -90.36 -75.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.39 150.95 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.45 102.2 7.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.32 138.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -127.47 126.21 41.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.01 134.53 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.553 ' CE3' ' O ' ' A' ' 141' ' ' LYS . 51.1 p-90 -135.59 142.09 45.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.553 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 31.1 mttt -38.73 131.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.7 p -134.19 138.12 44.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.7 t -90.7 167.05 12.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.1 mt -83.43 26.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.9 m -118.24 107.84 14.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.0 67.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.03 -45.25 93.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -68.69 -43.97 74.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.58 -36.65 81.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.12 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -60.49 -51.4 69.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 120' ' ' LEU . 11.6 mtp -65.36 -44.36 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.21 -38.59 89.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.62 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.56 HG11 HD11 ' A' ' 120' ' ' LEU . 5.8 p -71.52 -41.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.544 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 59.9 tp -68.76 -40.83 79.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.93 -52.06 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.2 OUTLIER -68.54 -17.75 64.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -98.5 15.68 24.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.44 -57.73 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.71 -56.72 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.63 -44.11 80.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 7.0 mtm -58.06 -44.66 87.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.2 ttm105 -55.89 -45.55 78.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -65.51 -42.61 91.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.912 HD11 HG21 ' A' ' 113' ' ' VAL . 50.9 mt -56.08 -35.12 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.8 mt -75.41 -39.25 59.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 20.9 mtt -43.21 -34.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 41.0 t -40.98 -49.04 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -48.34 158.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 172' ' ' THR . 2.7 pm0 -122.52 -29.04 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 94.3 m -47.22 -58.77 3.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.775 ' C ' HD22 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -54.66 177.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.625 ' N ' HD22 ' A' ' 173' ' ' LEU . 16.3 mmt180 -113.76 -69.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -122.19 133.78 54.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.429 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 90.9 t -108.02 99.67 32.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.4 Cg_endo -69.76 170.06 17.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 133.44 25.71 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.632 HD13 HD21 ' A' ' 104' ' ' LEU . 56.4 mt -91.92 129.08 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 84.4 t -125.19 115.85 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.544 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 70.6 m-85 -81.87 128.07 33.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 50.8 t -121.98 141.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.05 130.86 41.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.4 t70 -77.77 46.86 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -110.92 -53.33 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 101.13 -39.16 2.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -43.21 117.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -102.11 101.88 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -89.23 41.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 22.2 mt -132.21 112.94 12.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -121.04 168.75 11.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -84.41 46.7 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 193' ' ' LEU . 0.2 OUTLIER -85.64 41.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -124.21 80.55 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -122.68 -43.29 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.65 138.97 56.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 15.2 tp -126.02 97.58 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -91.8 54.34 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 78.9 t -131.34 90.17 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -114.02 80.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 23.7 m -148.38 170.12 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 138.59 75.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 111.34 2.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 31.5 m -103.91 121.31 42.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 26.4 p -172.76 144.33 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 t -81.86 126.96 32.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.916 0.389 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.5 p -149.45 122.69 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.13 112.46 1.99 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 t -94.84 -45.67 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -103.74 145.67 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 128.17 147.73 6.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -43.97 136.78 3.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -60.77 -43.92 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' ALA . 66.8 mm-40 -41.69 -46.93 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -40.53 -45.46 2.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -66.8 -32.98 74.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -68.71 -47.82 65.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -31.98 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.7 mt -65.53 -45.13 84.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -71.8 -41.79 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 96' ' ' LEU . 5.4 tt -67.74 -45.61 74.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.61 -48.06 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.22 -40.15 71.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.28 -45.79 93.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 30.5 mt -66.47 -37.93 86.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.599 ' O ' HG22 ' A' ' 105' ' ' THR . 67.0 t80 -66.32 -42.87 87.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -70.66 -45.52 64.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.839 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.17 -37.69 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.87 HD21 HD13 ' A' ' 179' ' ' ILE . 24.0 mt -63.28 -50.49 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 101' ' ' TYR . 7.5 t -67.26 -26.8 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.59 -33.35 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 104' ' ' LEU . 7.9 mp -75.37 1.68 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 87.5 m -95.98 -20.07 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 m -117.55 117.39 36.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.534 0.683 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.528 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.5 Cg_endo -69.77 -19.07 36.57 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 111' ' ' PRO . 4.3 tm-20 -37.85 -52.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.004 HG21 HD11 ' A' ' 166' ' ' LEU . 9.0 p -92.63 -56.09 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.674 ' N ' HG13 ' A' ' 113' ' ' VAL . 53.7 p -92.67 67.01 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.17 -47.38 86.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.31 -41.97 93.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 156' ' ' LEU . 8.5 tp -63.57 -44.81 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.528 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 74.2 t80 -58.0 -43.33 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.34 -34.25 60.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.782 HD13 ' HG2' ' A' ' 152' ' ' MET . 17.1 mt -81.43 -8.76 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.7 m120 45.16 51.14 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 108' ' ' LEU . 7.3 p -76.72 149.89 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -137.58 123.48 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 104' ' ' LEU . 19.7 mt -64.57 160.31 19.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.1 p -132.96 -40.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 127' ' ' VAL . 0.8 OUTLIER -159.87 152.22 20.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.432 ' N ' ' HD3' ' A' ' 126' ' ' LYS . 72.4 t -126.28 129.78 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.5 t -107.59 117.75 34.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 133' ' ' PHE . 18.8 tp -109.48 141.32 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 18.5 p -69.53 153.57 95.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -29.2 23.94 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -86.5 6.44 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.54 ' CD1' HD21 ' A' ' 129' ' ' LEU . 18.4 m-85 56.06 28.22 12.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 42.3 t -90.2 -76.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.53 146.63 23.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 3.3 t -120.3 101.85 8.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.5 139.72 30.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -132.52 125.39 30.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -100.87 129.58 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 142' ' ' THR . 25.4 p-90 -125.76 142.3 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -52.21 128.52 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.574 ' CG2' ' CH2' ' A' ' 140' ' ' TRP . 1.0 OUTLIER -134.98 173.91 11.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 30.0 p -95.82 152.86 18.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.22 -10.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.4 m -89.3 121.63 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.4 90.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.69 -48.2 75.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.476 ' NE2' ' HG3' ' A' ' 152' ' ' MET . 39.5 tp60 -63.27 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -65.35 -37.34 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -61.56 -45.66 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 151' ' ' HIS . 4.2 t60 -61.22 -51.17 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.782 ' HG2' HD13 ' A' ' 120' ' ' LEU . 16.7 mtp -64.49 -40.84 96.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.407 ' C ' ' OE2' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -62.48 -40.96 98.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.02 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 120' ' ' LEU . 5.5 p -71.26 -43.06 74.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.532 ' HG ' ' CD2' ' A' ' 181' ' ' PHE . 59.2 tp -66.62 -40.18 88.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.03 -48.93 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -66.84 -24.21 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -93.33 16.62 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.25 7.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.96 -59.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -56.82 -42.18 79.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 6.1 mtm -58.47 -44.63 89.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 164' ' ' ARG . 10.9 ttp-105 -55.78 -44.62 77.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -66.09 -41.84 90.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 113' ' ' VAL . 42.4 mt -57.22 -34.62 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.839 HD22 ' HB1' ' A' ' 103' ' ' ALA . 19.1 mt -76.57 -37.35 56.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 169' ' ' SER . 12.2 mtt -45.31 -35.8 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 168' ' ' MET . 74.0 m -37.88 -49.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -59.06 131.75 51.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 172' ' ' THR . 2.7 mp0 -84.83 -44.2 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 171' ' ' GLN . 23.2 p -36.08 -53.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.169 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 176' ' ' VAL . 3.3 mp -56.85 116.62 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -68.15 -67.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.13 125.86 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.401 HG22 HD23 ' A' ' 173' ' ' LEU . 77.2 t -105.71 99.16 20.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.621 0.724 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.409 ' CB ' ' O ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.33 27.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.87 HD13 HD21 ' A' ' 104' ' ' LEU . 61.1 mt -91.86 130.19 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.3 114.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.532 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 84.2 m-85 -81.96 132.04 35.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.29 140.66 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -71.97 129.26 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.435 ' O ' ' CG ' ' A' ' 184' ' ' ASP . 21.0 p-10 -59.23 85.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -94.29 -44.69 7.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 94.76 -50.66 2.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -131.35 92.22 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -108.83 114.44 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -112.18 41.76 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.53 136.58 46.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -126.83 81.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.14 92.74 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 12.9 mt -122.68 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -129.96 157.07 43.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.75 139.83 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.15 129.46 27.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 58.1 mt -153.34 129.64 10.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -172.61 129.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.48 160.48 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -160.56 119.32 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.44 133.87 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 27.7 t -168.95 153.62 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . -159.14 73.65 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 173.56 10.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.709 2.273 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 3.6 m -143.67 166.56 24.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.2 t -120.42 155.33 33.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -65.55 129.91 41.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.366 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -163.46 147.75 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.01 159.57 6.28 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t -91.11 50.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.828 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 p -70.0 165.47 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.11 49.68 0.87 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' HG2' ' CG ' ' A' ' 88' ' ' GLU . 10.6 ptt180 -76.58 -175.66 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 86' ' ' ARG . 39.8 pttt -37.25 -38.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.5 pp20? -38.82 -48.56 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' GLU . 31.0 t70 -34.42 -53.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 3.7 t60 -62.27 -40.65 96.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -62.68 -44.04 97.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -70.51 -36.31 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 19.5 mt -62.31 -45.21 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -70.03 -45.1 67.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' O ' HD12 ' A' ' 99' ' ' LEU . . . -63.74 -35.07 79.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 129' ' ' LEU . 5.8 tt -70.42 -37.67 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . -75.07 -37.57 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 95' ' ' ALA . 25.6 mt -61.63 -50.01 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.675 HD12 ' CD2' ' A' ' 96' ' ' LEU . 21.5 mt -68.14 -38.57 82.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.765 ' O ' HG22 ' A' ' 105' ' ' THR . 57.3 t80 -66.11 -39.13 89.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -74.09 -41.41 61.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.88 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -70.41 -42.07 72.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.688 ' HB3' HD11 ' A' ' 124' ' ' LEU . 33.4 mt -62.36 -50.38 71.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 101' ' ' TYR . 5.8 t -63.64 -34.0 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.94 -41.85 99.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.82 -42.67 99.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.6 mp -65.28 -4.91 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.69 -28.03 19.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -112.27 111.99 52.42 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.637 0.732 . . . . 0.0 111.098 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.525 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 54.1 Cg_endo -69.77 1.57 4.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.401 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -55.48 -51.8 65.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 166' ' ' LEU . 10.4 p -91.8 -54.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.659 ' N ' HG13 ' A' ' 113' ' ' VAL . 55.0 p -91.6 65.74 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.08 -47.11 87.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.69 -42.01 91.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 156' ' ' LEU . 14.5 tp -60.86 -51.23 70.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.525 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 45.1 t80 -53.84 -50.06 67.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -43.47 -35.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 152' ' ' MET . 12.4 mt -80.7 -34.65 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.59 54.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.98 150.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.77 122.62 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 104' ' ' LEU . 21.3 mt -61.49 151.2 33.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.3 p -119.4 -42.92 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -165.84 157.47 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 63.8 t -127.23 128.02 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.9 t -106.94 116.2 31.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.693 HD22 HD22 ' A' ' 96' ' ' LEU . 16.4 tp -108.32 140.29 41.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.5 p -70.74 152.26 95.19 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -33.35 16.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.404 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.59 0.57 25.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CZ ' ' HG ' ' A' ' 93' ' ' LEU . 7.2 m-85 60.98 25.74 15.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 59.3 m -90.16 -76.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.64 149.63 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.42 101.93 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.88 140.03 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -134.06 124.48 26.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.94 133.09 45.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.532 ' CH2' HG22 ' A' ' 142' ' ' THR . 28.7 p-90 -127.01 144.24 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -49.66 127.49 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.532 HG22 ' CH2' ' A' ' 140' ' ' TRP . 3.8 p -132.13 168.52 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.579 HG23 ' OE1' ' A' ' 148' ' ' GLN . 82.7 p -89.93 178.48 6.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.6 tp -90.8 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.7 t -131.3 132.99 44.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.33 75.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.37 -48.08 81.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.579 ' OE1' HG23 ' A' ' 143' ' ' THR . 0.9 OUTLIER -65.65 -45.78 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 10.0 m-20 -61.59 -35.92 79.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.09 65.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.82 -51.1 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 120' ' ' LEU . 12.9 mtp -65.12 -44.89 87.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 29.5 tt0 -62.15 -37.05 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.17 -44.43 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 152' ' ' MET . 4.8 p -71.19 -41.37 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 117' ' ' LEU . 55.7 tp -69.12 -42.71 75.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.93 -52.04 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -16.88 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.5 m -99.14 9.75 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -84.02 -45.04 13.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -42.08 -60.86 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.01 -41.03 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 4.8 mtm -56.96 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 9.4 ttp-105 -55.93 -46.0 78.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -63.7 -42.09 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 113' ' ' VAL . 26.3 mt -57.3 -36.02 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.88 HD22 ' HB1' ' A' ' 103' ' ' ALA . 31.3 mt -78.94 -28.51 43.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -35.79 72.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 16.1 t -38.52 -35.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -72.15 93.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 172' ' ' THR . 1.3 pp0? -47.86 -40.04 20.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 171' ' ' GLN . 37.1 m -34.27 -60.08 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.94 128.24 23.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.2 ttt-85 -72.25 -67.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -127.07 124.37 39.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.94 99.18 17.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.8 Cg_endo -69.8 170.2 17.17 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.53 23.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.549 HD13 HD21 ' A' ' 104' ' ' LEU . 57.0 mt -91.92 127.96 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.82 115.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.57 ' CD2' ' HG ' ' A' ' 156' ' ' LEU . 62.2 m-85 -81.78 126.62 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 68.5 t -124.12 144.05 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 184' ' ' ASP . 77.2 mt-30 -71.03 127.92 34.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 183' ' ' GLN . 2.9 t70 -35.75 -59.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -138.54 110.0 7.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -76.42 71.96 1.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.445 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -70.04 116.08 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -109.12 -52.59 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -98.53 77.29 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 39.7 tp -111.11 86.22 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -116.03 169.99 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -129.75 107.23 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 193' ' ' LEU . 0.1 OUTLIER -105.52 140.18 39.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -122.54 153.5 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -116.5 144.19 44.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 9.3 tt -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.99 117.27 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -147.31 137.57 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.03 163.17 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.36 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -126.25 91.19 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 53.2 p -133.41 153.47 51.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 142.9 68.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.74 59.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 12.9 t -70.31 117.45 11.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 16.6 t -139.26 149.98 44.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.6 p -132.78 128.02 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -103.92 -44.45 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.14 55.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.4 m -65.43 121.0 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -156.38 121.85 4.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.54 -123.57 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -89.78 170.37 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.5 ttpm? -60.73 -42.71 97.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 91' ' ' ALA . 21.7 mm-40 -37.07 -48.26 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 18.1 m-20 -37.44 -48.77 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -65.12 -36.96 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -65.26 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -72.8 -33.64 66.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 31.7 mt -65.34 -45.13 85.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -72.04 -43.39 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 99' ' ' LEU . . . -65.5 -43.69 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.3 tt -66.6 -46.91 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 93' ' ' LEU . 39.8 m-20 -63.23 -45.14 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.26 -36.98 55.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 173' ' ' LEU . 27.7 mt -64.87 -49.12 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.631 HD12 ' CD2' ' A' ' 96' ' ' LEU . 29.5 mt -67.3 -37.35 83.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.581 ' O ' HG22 ' A' ' 105' ' ' THR . 43.6 t80 -64.86 -42.75 94.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -74.86 -38.88 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.785 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -68.47 -43.09 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.06 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 179' ' ' ILE . 35.9 mt -64.33 -50.45 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 101' ' ' TYR . 9.3 t -61.22 -32.21 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.58 -41.0 84.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.73 -41.74 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 104' ' ' LEU . 6.1 mp -70.3 -5.87 30.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 58.3 m -90.04 -23.54 21.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -115.89 115.85 40.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' TYR . 53.4 Cg_endo -69.79 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.24 . . . . 0.0 112.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 25.4 pt-20 -53.99 -51.7 63.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 114' ' ' SER . 6.5 p -91.47 -58.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.685 ' H ' HG13 ' A' ' 113' ' ' VAL . 10.4 m -92.48 73.63 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -60.59 -46.87 88.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.555 ' OE1' HG21 ' A' ' 155' ' ' VAL . 2.4 tm-20 -66.21 -42.39 88.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 156' ' ' LEU . 12.5 tp -58.44 -44.92 89.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 111' ' ' PRO . 60.9 t80 -60.78 -51.82 67.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -43.36 -34.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.7 -33.04 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 118' ' ' TYR . 4.1 t30 73.28 54.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 117' ' ' LEU . 2.7 p -88.6 149.29 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -139.81 126.69 20.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 104' ' ' LEU . 22.2 mt -64.82 157.55 27.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.3 p -131.33 -37.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 39.4 tttt -165.58 153.23 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 90.3 t -127.13 137.71 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 137' ' ' ARG . 8.1 t -116.4 111.66 20.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.8 tp -104.08 141.46 36.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 135' ' ' ALA . 78.5 p -69.4 152.46 96.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -27.52 26.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -86.12 5.91 31.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 129' ' ' LEU . 12.1 m-85 55.56 26.48 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 177' ' ' PRO . 30.1 t -90.25 -75.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 130' ' ' THR . . . -90.49 141.35 28.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 12.6 t -119.81 101.53 7.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 128' ' ' SER . 20.1 mtp180 -96.62 138.5 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -131.43 136.97 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -100.93 133.08 45.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.797 ' CZ3' HG22 ' A' ' 142' ' ' THR . 25.4 p-90 -120.93 147.0 46.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.61 119.17 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.797 HG22 ' CZ3' ' A' ' 140' ' ' TRP . 72.7 p -123.25 170.18 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 1.4 p -102.27 -176.39 3.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.9 tp -91.34 35.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -133.16 123.26 25.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.28 -27.68 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.5 -47.81 82.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 148' ' ' GLN . 1.2 pp0? -69.73 -38.09 76.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 153' ' ' GLU . 17.6 m-80 -62.05 -38.85 90.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.96 46.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.46 -50.07 72.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.4 mtp -64.41 -44.39 91.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 149' ' ' ASN . 35.4 tt0 -62.47 -38.75 91.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.74 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.555 HG21 ' OE1' ' A' ' 116' ' ' GLU . 6.8 p -71.56 -40.95 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 60.8 tp -69.23 -43.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.05 -52.32 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 158' ' ' ARG . 0.0 OUTLIER -65.64 -17.49 64.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.7 m -97.89 8.89 43.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -83.31 -42.01 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -43.17 -61.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -57.38 -41.73 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.6 mtm -57.16 -43.73 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 164' ' ' ARG . 8.9 ttp-105 -55.82 -46.01 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -63.78 -41.92 97.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 113' ' ' VAL . 28.8 mt -57.87 -35.47 71.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.785 HD22 ' HB1' ' A' ' 103' ' ' ALA . 24.3 mt -75.18 -35.29 61.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 169' ' ' SER . 13.3 mtt -45.93 -35.93 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 168' ' ' MET . 3.5 t -37.16 -48.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.27 115.97 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 172' ' ' THR . 47.9 tt0 -73.4 -40.04 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.782 HG23 HD12 ' A' ' 173' ' ' LEU . 5.3 t -33.99 -39.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.782 HD12 HG23 ' A' ' 172' ' ' THR . 4.3 mp -75.77 132.31 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -79.82 -74.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -115.49 125.24 52.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 177' ' ' PRO . 61.5 t -103.89 99.41 16.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.457 ' CB ' ' O ' ' A' ' 134' ' ' SER . 53.3 Cg_endo -69.71 170.22 17.03 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.83 28.9 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.555 HD13 HD21 ' A' ' 104' ' ' LEU . 53.0 mt -91.86 130.19 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.7 115.08 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.565 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 82.3 m-85 -81.89 131.65 35.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.32 143.35 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -72.7 129.24 37.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.42 99.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -107.87 112.73 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -55.13 -85.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -136.18 148.79 48.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -114.96 118.1 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -115.79 79.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.07 94.87 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -129.36 148.96 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -131.3 98.55 4.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 13.5 mt -120.11 133.88 55.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -131.65 125.21 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -137.87 137.6 38.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tt -138.82 136.98 36.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 81.9 mt -148.77 128.34 13.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -173.18 108.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.17 143.43 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -159.32 148.55 18.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -109.55 155.27 21.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 2.1 t -170.82 118.71 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 163.64 78.98 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 131.16 20.7 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 28.2 p -56.02 -49.14 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 37.5 p 39.76 42.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.7 m -110.27 158.79 18.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.937 0.399 . . . . 0.0 110.796 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 t -115.59 -60.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.27 -125.71 3.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 m -128.13 145.23 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -114.62 148.63 37.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.84 -111.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -68.98 156.3 38.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.12 -32.22 73.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.25 -52.58 43.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -60.48 -36.04 77.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.12 -47.15 75.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -72.44 -31.85 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 133' ' ' PHE . 29.2 mt -65.65 -45.06 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -71.92 -40.93 68.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.53 -46.22 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 100' ' ' LEU . 5.5 tt -65.63 -47.05 76.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.33 -48.0 83.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.56 -38.09 78.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.81 -49.11 74.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 96' ' ' LEU . 34.2 mt -64.28 -38.27 90.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' O ' HG22 ' A' ' 105' ' ' THR . 66.6 t80 -66.51 -44.69 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 167' ' ' LEU . . . -69.88 -42.93 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 179' ' ' ILE . 22.4 mt -62.05 -50.06 73.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 101' ' ' TYR . 8.9 t -65.3 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -66.04 -40.26 90.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 113' ' ' VAL . 32.5 mt -64.54 -37.65 88.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 122' ' ' VAL . 3.2 mp -71.7 -0.94 12.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 85.1 m -90.49 -21.86 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.38 120.62 28.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 111.122 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . 53.7 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.353 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -52.49 -50.59 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.74 HG13 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -89.81 -67.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.74 ' H ' HG13 ' A' ' 113' ' ' VAL . 4.7 m -90.36 76.96 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.03 -47.48 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -66.33 -42.16 88.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.9 tp -60.97 -36.48 79.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 111' ' ' PRO . 83.8 t80 -66.83 -51.09 59.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -49.15 -25.31 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.2 mt -81.42 -35.22 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 74.22 50.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 108' ' ' LEU . 6.5 p -83.57 153.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 122' ' ' VAL . 11.8 pt-20 -146.39 124.33 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 104' ' ' LEU . 24.5 mt -59.73 145.55 44.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.7 t -115.18 -35.47 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 127' ' ' VAL . 19.0 ttmt -163.63 146.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.469 ' N ' ' HG2' ' A' ' 126' ' ' LYS . 66.6 t -125.66 128.06 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 39.2 t -107.79 119.11 38.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 133' ' ' PHE . 14.6 tp -109.07 141.3 41.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 36.1 p -69.81 153.52 95.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.527 0.679 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -35.17 13.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.48 4.06 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 129' ' ' LEU . 11.2 m-85 58.42 27.7 15.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -90.13 -75.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -90.48 151.08 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 5.6 t -126.33 101.99 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.89 141.41 30.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.92 121.12 21.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -100.96 126.92 47.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LYS . 45.4 p-90 -120.75 142.48 49.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' TRP . 16.4 mmtp -36.71 125.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.7 p -134.08 141.87 47.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 148' ' ' GLN . 2.7 t -102.29 -179.69 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 143' ' ' THR . 8.4 tp -82.96 19.94 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 148' ' ' GLN . 1.1 t -102.13 110.13 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.95 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.91 -48.1 75.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.48 ' HG2' ' CG2' ' A' ' 143' ' ' THR . 0.4 OUTLIER -68.76 -39.8 80.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -61.96 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -68.65 -47.77 65.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.71 -50.3 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.49 ' HE2' ' HB3' ' A' ' 152' ' ' MET . 26.7 mtp -64.8 -45.39 86.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -62.52 -39.33 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 -44.83 92.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.419 HG11 HD11 ' A' ' 120' ' ' LEU . 7.6 p -71.48 -41.18 72.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.54 ' HG ' ' CE2' ' A' ' 181' ' ' PHE . 61.9 tp -68.29 -41.08 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -61.83 -51.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -64.64 -22.51 66.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -95.61 17.17 15.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -88.16 -54.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -41.8 -58.22 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -56.75 -41.62 77.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 5.4 mtm -59.82 -44.67 93.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.9 ttm105 -56.0 -44.12 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -64.7 -42.66 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 49.2 mt -57.79 -34.99 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.569 HD22 ' HB1' ' A' ' 103' ' ' ALA . 11.1 mt -74.84 -36.21 62.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 12.0 mtt -42.79 -32.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 19.1 t -41.49 -56.3 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 173' ' ' LEU . 42.6 mt-30 -40.98 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -123.02 -39.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 73.2 m -38.45 -55.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.713 HD11 ' CG2' ' A' ' 176' ' ' VAL . 1.8 pt? -62.69 161.47 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -84.47 -69.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.47 165.92 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.713 ' CG2' HD11 ' A' ' 173' ' ' LEU . 54.5 t -123.71 99.61 38.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 176' ' ' VAL . 53.6 Cg_endo -69.76 169.94 17.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.72 21.81 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.726 HD13 HD21 ' A' ' 104' ' ' LEU . 53.4 mt -92.03 125.97 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.07 116.32 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.54 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 78.2 m-85 -82.15 121.68 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.5 t -119.22 143.07 31.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -71.19 128.01 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -45.43 -53.86 8.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -121.56 93.59 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -78.94 85.05 1.21 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.423 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -41.59 123.65 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -128.77 107.5 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -84.65 38.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 11.3 tp -83.69 40.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . . . . . . . . . . . -127.62 159.71 33.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.57 107.62 8.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.94 40.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -97.52 79.1 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -107.37 112.39 25.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -135.38 138.11 42.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 12.8 tp -174.5 151.15 1.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -169.71 162.23 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.87 138.21 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ALA . . . . . . . . . . . . . . . -98.23 158.15 15.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.36 156.97 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 80.9 p -165.68 177.82 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' GLY . . . . . . . . . . . . . . . 139.48 -175.94 21.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -177.23 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 16.1 t -155.07 126.49 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.7 t -155.36 148.0 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 0 0 . 1 stop_ save_